Showing results for T
Total number of hits: 132
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PCNDIDT0001
Tabernaemontanine
Canonical SMILES: CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C
Class: Vobasan alkaloids
Disease: PD
PCNDIDT0002
Tacrine
Canonical SMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)N
Class: Quinolines and derivatives
Disease: AD
PCNDIDT0003
Tamarixetin
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDT0004
Tamarixinol
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)OC)O
Class: Phenols
Disease: Epilepsy
PCNDIDT0005
Tangeretin
Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC
Class: Flavonoids
Disease: AD, PD
PCNDIDT0006
Tanshinaldehyde
Canonical SMILES: CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C=O
Class: Prenol lipids
Disease: AD, PD
PCNDIDT0007
Tanshindiol C
Canonical SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O
Class: Prenol lipids
Disease: AD
PCNDIDT0008
Tanshinol A
Canonical SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)CO
Class: Prenol lipids
Disease: AD
PCNDIDT0009
Tanshinol B
Canonical SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)O
Class: Prenol lipids
Disease: AD
PCNDIDT0010
Tanshinone I
Canonical SMILES: CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C
Class: Prenol lipids
Disease: AD
PCNDIDT0011
Tanshinone IIA
Canonical SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDT0012
Taraxasterol
Canonical SMILES: CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C
Class: Prenol lipids
Disease: AD
PCNDIDT0013
Taspine
Canonical SMILES: CN(C)CCC1=CC(=C2C3=C1C(=O)OC4=C(C=CC(=C34)C(=O)O2)OC)OC
Class: Coumarins and derivatives
Disease: AD
PCNDIDT0014
Taurine
Canonical SMILES: C(CS(=O)(=O)O)N
Class: Organic sulfonic acids and derivatives
Disease: AD, PD
PCNDIDT0015
Taxifolin
Canonical SMILES: C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDT0016
Tectochrysin
Canonical SMILES: COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O
Class: Flavonoids
Disease: AD
PCNDIDT0017
Tectoridin
Canonical SMILES: COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDT0018
Tectorigenin
Canonical SMILES: COC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDT0019
Tembetarine
Canonical SMILES: C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC)C
Class: Isoquinolines and derivatives
Disease: AD, PD
PCNDIDT0020
Tenathan
Canonical SMILES: CNC(=NC)NCC1=CC=CC=C1.OS(=O)(=O)O
Class: Organic sulfuric acids and derivatives
Disease: AD, PD
PCNDIDT0021
Tenaxin I
Canonical SMILES: COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3O)OC)OC
Class: Flavonoids
Disease: AD
PCNDIDT0022
Tephrosin
Canonical SMILES: CC1(C=CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4(C3=O)O)OC)OC)C
Class: Isoflavonoids
Disease: AD
PCNDIDT0023
Teresantalol
Canonical SMILES: CC1(C2CC3C1(C3C2)C)CO
Class: Prenol lipids
Disease: AD
PCNDIDT0024
Terpinolene
Canonical SMILES: CC1=CCC(=C(C)C)CC1
Class: Prenol lipids
Disease: AD, PD
PCNDIDT0025
Terrestriamide
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)NCC(=O)C2=CC=C(C=C2)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDT0026
tert-Butanol
Canonical SMILES: CC(C)(C)O
Class: Organooxygen compounds
Disease: AD
PCNDIDT0027
tert-Butyl 4-bromo-1H-indazole-1-carboxylate
Canonical SMILES: CC(C)(C)OC(=O)N1C2=C(C=N1)C(=CC=C2)Br
Class: Benzopyrazoles
Disease: AD
PCNDIDT0028
tert-Butylurea
Canonical SMILES: CC(C)(C)NC(=O)N
Class: Organic carbonic acids and derivatives
Disease: AD, PD
PCNDIDT0029
Tetraarsenic tetrasulfide
Canonical SMILES: S1[As]2S[As]3[As]1S[As]2S3
Class: Metalloid organides
Disease: Huntington disease, Multiple sclreosis
PCNDIDT0030
Tetracosane
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCC
Class: Saturated hydrocarbons
Disease: AD, PD
PCNDIDT0031
Tetradecahydro-1-methylphenanthrene
Canonical SMILES: CC1CCCC2C1CCC3C2CCCC3
Class: Phenanthrenes and derivatives
Disease: AD
PCNDIDT0032
Tetradecane
Canonical SMILES: CCCCCCCCCCCCCC
Class: Saturated hydrocarbons
Disease: Meningitis
PCNDIDT0033
Tetrahydroalstonine
Canonical SMILES: CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45
Class: Yohimbine alkaloids
Disease: AD, PD
PCNDIDT0034
Tetrahydrocorysamine
Canonical SMILES: CC1C2C3=CC4=C(C=C3CCN2CC5=C1C=CC6=C5OCO6)OCO4
Class: Protoberberine alkaloids and derivatives
Disease: AD
PCNDIDT0035
Tetrahydrocurcumin
Canonical SMILES: COC1=C(C=CC(=C1)CCC(=O)CC(=O)CCC2=CC(=C(C=C2)O)OC)O
Class: Diarylheptanoids
Disease: AD
PCNDIDT0036
Tetrahydrodemethoxydiferuloylmethane
Canonical SMILES: COC1=C(C=CC(=C1)CCC(=O)CC(=O)CCC2=CC=C(C=C2)O)O
Class: Diarylheptanoids
Disease: AD
PCNDIDT0037
Tetrahydropalmatine
Canonical SMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Class: Protoberberine alkaloids and derivatives
Disease: PD, Epilepsy, Huntington disease
PCNDIDT0038
Tetrahydropalmatrubine
Canonical SMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)O
Class: Protoberberine alkaloids and derivatives
Disease: AD, PD
PCNDIDT0039
Tetramethyllead
Canonical SMILES: C[Pb](C)(C)C
Class: Organo-post-transition metal compounds
Disease: AD
PCNDIDT0040
Tetrandrine
Canonical SMILES: CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
Class:
Disease: AD, PD, Huntington disease, Myasthenia Gravis
PCNDIDT0041
Texasin
Canonical SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDT0042
Thalfoetidine
Canonical SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)O)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Class:
Disease: AD, PD
PCNDIDT0043
Thalifendine
Canonical SMILES: COC1=C(C=CC2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C=C21)O
Class: Protoberberine alkaloids and derivatives
Disease: AD
PCNDIDT0044
Thaliporphine
Canonical SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)O)OC
Class: Aporphines
Disease: PD
PCNDIDT0045
Thalmine
Canonical SMILES: CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)O)OC)C=C5)OC
Class:
Disease: AD, PD
PCNDIDT0046
Thalsimine
Canonical SMILES: CN1CCC2=C3C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6=NCCC7=CC(=C(C=C76)OC3=C(C(=C2OC)OC)OC)OC)C=C5
Class: Tannins
Disease: AD
PCNDIDT0047
Theaflavine
Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)O)O)O)C(=O)C(=C3)O)O
Class: Flavonoids
Disease: AD
PCNDIDT0048
Thebaine
Canonical SMILES: CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC
Class: Morphinans
Disease: AD
PCNDIDT0049
Theobromine
Canonical SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C
Class: Imidazopyrimidines
Disease: AD, PD
PCNDIDT0050
Theobromine magnesium oleate
Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)[O-].CN1C=NC2=C1C(=NC(=O)N2C)[O-].[Mg+2]
Class: Fatty Acyls
Disease: AD
PCNDIDT0051
Theophylline
Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2
Class: Imidazopyrimidines
Disease: AD
PCNDIDT0052
Thermopsoside
Canonical SMILES: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDT0053
Thevetin
Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O
Class: Steroids and steroid derivatives
Disease: Epilepsy
PCNDIDT0054
Thioctic acid
Canonical SMILES: C1CSSC1CCCCC(=O)O
Class: Dithiolanes
Disease: AD
PCNDIDT0055
Thiosulfinate
Canonical SMILES: CC=CSS(=O)C=CC
Class: Thiosulfinic acid esters
Disease: AD
PCNDIDT0056
thonningianin A
Canonical SMILES: C1C2C(C(C(C(O2)OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=CC=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
Class: Tannins
Disease: AD
PCNDIDT0057
thonningianin B
Canonical SMILES: C1C2C(C(C(C(O2)OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=CC=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O
Class: Tannins
Disease: AD
PCNDIDT0058
Threonine
Canonical SMILES: CC(C(C(=O)O)N)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDT0059
Thujone
Canonical SMILES: CC1C2CC2(CC1=O)C(C)C
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDT0060
Thujopsadiene
Canonical SMILES: CC1=CCC2(CC=CC(C23C1C3)(C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDT0061
Thujopsene
Canonical SMILES: CC1=CCC2(CCCC(C23C1C3)(C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDT0062
Thymidine
Canonical SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
Class: Pyrimidine nucleosides
Disease: AD
PCNDIDT0063
Thymol
Canonical SMILES: CC1=CC(=C(C=C1)C(C)C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDT0064
Thymol acetate
Canonical SMILES: CC1=CC(=C(C=C1)C(C)C)OC(=O)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDT0065
Thymonin
Canonical SMILES: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)O)O)O
Class: Flavonoids
Disease: PD, Epilepsy
PCNDIDT0066
Thymoquinone
Canonical SMILES: CC1=CC(=O)C(=CC1=O)C(C)C
Class: Organooxygen compounds
Disease: AD
PCNDIDT0067
Tiglic acid
Canonical SMILES: CC=C(C)C(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDT0068
Tigloylgomisin P
Canonical SMILES: CC=C(C)C(=O)OC1C2=CC(=C(C(=C2C3=C(C4=C(C=C3CC(C1(C)O)C)OCO4)OC)OC)OC)OC
Class: Tannins
Disease: AD, PD
PCNDIDT0069
Timosaponin A-III
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)OC1
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDT0070
Tocopherols
Canonical SMILES: CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDT0071
Tolazoline
Canonical SMILES: C1CN=C(N1)CC2=CC=CC=C2
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDT0072
Toluene
Canonical SMILES: CC1=CC=CC=C1
Class: Benzene and substituted derivatives
Disease: PD, Huntington disease
PCNDIDT0073
Tomentolide A
Canonical SMILES: CC1C(OC2=C3C(=CC(=O)OC3=C4C=CC(OC4=C2C1=O)(C)C)C5=CC=CC=C5)C
Class: Neoflavonoids
Disease: AD
PCNDIDT0074
Tomentolide B
Canonical SMILES: CCCC1=CC(=O)OC2=C3C=CC(OC3=C4C(=O)C(C(OC4=C12)C)C)(C)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDT0075
Tomentosin
Canonical SMILES: CC1CC2C(CC=C1CCC(=O)C)C(=C)C(=O)O2
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDT0076
Toosendanin
Canonical SMILES: CC(=O)OC1CC(C23COC(C1(C2CC(C4(C3C(=O)C(C5(C46C(O6)CC5C7=COC=C7)C)OC(=O)C)C)O)C)O)O
Class: Prenol lipids
Disease: AD, PD, Huntington disease
PCNDIDT0077
Torachrysone
Canonical SMILES: CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)O)OC
Class: Naphthalenes
Disease: AD
PCNDIDT0078
Torachrysone 8-glucoside
Canonical SMILES: CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O)OC
Class: Organooxygen compounds
Disease: AD
PCNDIDT0079
Toralactone
Canonical SMILES: CC1=CC2=CC3=CC(=CC(=C3C(=C2C(=O)O1)O)O)OC
Class: Naphthopyrans
Disease: AD
PCNDIDT0080
Trachelogenin
Canonical SMILES: COC1=C(C=C(C=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)O)OC)O)OC
Class: Furanoid lignans
Disease: AD
PCNDIDT0081
Tracheloside
Canonical SMILES: COC1=C(C=C(C=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)O)OC
Class: Lignan glycosides
Disease: AD
PCNDIDT0082
trans-1,2-Cyclopentanediol
Canonical SMILES: C1CC(C(C1)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDT0083
trans-10-Octadecenoic acid
Canonical SMILES: CCCCCCCC=CCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDT0084
trans-3-Methyl-2-pentene
Canonical SMILES: CCC(=CC)C
Class: Unsaturated hydrocarbons
Disease: AD
PCNDIDT0085
trans-Chalcone
Canonical SMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDT0086
trans-Zeatin
Canonical SMILES: CC(=CCNC1=NC=NC2=C1NC=N2)CO
Class: Imidazopyrimidines
Disease: Myasthenia Gravis
PCNDIDT0087
Tremetone
Canonical SMILES: CC(=C)C1CC2=C(O1)C=CC(=C2)C(=O)C
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDT0088
Tremulacin
Canonical SMILES: C1CC(=O)C(C=C1)(C(=O)OCC2=CC=CC=C2OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=CC=C4)O
Class: Organooxygen compounds
Disease: AD
PCNDIDT0089
Triacontyl hexacosanoate
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
Class: Fatty Acyls
Disease: Epilepsy
PCNDIDT0090
Tricetin
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Class: Flavonoids
Disease: AD
PCNDIDT0091
Trichotomine
Canonical SMILES: C1C(N2C(=CC(=C2O)C3=CC4=C5C(=C6C=CC=CC6=N5)CC(N4C3=O)C(=O)O)C7=C1C8=CC=CC=C8N7)C(=O)O
Class:
Disease: PD, Epilepsy
PCNDIDT0092
Tricin
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDT0093
Tridecane
Canonical SMILES: CCCCCCCCCCCCC
Class: Saturated hydrocarbons
Disease: PD
PCNDIDT0094
Tridecanoic acid
Canonical SMILES: CCCCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDT0095
Triethyl orthoformate
Canonical SMILES: CCOC(OCC)OCC
Class: Organooxygen compounds
Disease: AD
PCNDIDT0096
Trifolirhizin
Canonical SMILES: C1C2C(C3=C(O1)C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5=CC6=C(C=C25)OCO6
Class: Isoflavonoids
Disease: AD
PCNDIDT0097
Trigonelline
Canonical SMILES: C[N+]1=CC=CC(=C1)C(=O)[O-]
Class:
Disease: AD
PCNDIDT0098
Trijuganone B
Canonical SMILES: CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C
Class: Prenol lipids
Disease: AD
PCNDIDT0099
Trilobine
Canonical SMILES: CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)OC)OC6=CC=C(CC7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6
Class:
Disease: AD, PD
PCNDIDT0100
Trimethylamine
Canonical SMILES: CN(C)C
Class: Organonitrogen compounds
Disease: AD, PD
PCNDIDT0101
Trimethylhydroquinone
Canonical SMILES: CC1=CC(=C(C(=C1O)C)C)O
Class: Phenols
Disease: AD, PD
PCNDIDT0102
Trimethylphosphine oxide
Canonical SMILES: CP(=O)(C)C
Class: Organic phosphines and derivatives
Disease: AD
PCNDIDT0103
Triolein
Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC
Class: Glycerolipids
Disease: AD
PCNDIDT0104
tri-O-methylnorbergenin
Canonical SMILES: COC1=C(C(=C2C3C(C(C(C(O3)CO)O)O)OC(=O)C2=C1)OC)OC
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDT0105
Triptinin A
Canonical SMILES: CC1=C(CCC2(C1CCC3=C2C=CC(=C3OC)C(C)C)C)C(=O)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDT0106
Triptinin B
Canonical SMILES: CC1=C(CCC2(C1CCC3=C2C=CC(=C3O)C(C)C)C)C(=O)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDT0107
Triptolide
Canonical SMILES: CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C
Class: Oxepanes
Disease: AD, PD, Huntington disease, Meningitis, Myasthenia Gravis
PCNDIDT0108
Triptonoditerpenic acid
Canonical SMILES: CC1=C(CCC2(C1CCC3=C(C(=C(C=C32)OC)C(C)C)O)C)C(=O)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDT0109
Triptonoterpene
Canonical SMILES: CC(C)C1=C(C2=C(C=C1)C3(CCC(=O)C(C3CC2)(C)C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDT0110
Triptonoterpene methyl ether
Canonical SMILES: CC(C)C1=CC(=C2C(=C1OC)CCC3C2(CCC(=O)C3(C)C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDT0111
Triptonoterpenol
Canonical SMILES: CC(C)C1=CC(=C2C(=C1OC)CCC3C2(CCC(=O)C3(C)CO)C)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDT0112
Triptophenolide
Canonical SMILES: CC(C)C1=C(C2=C(C=C1)C3(CCC4=C(C3CC2)COC4=O)C)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDT0113
Tristearin
Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
Class: Glycerolipids
Disease: AD
PCNDIDT0114
Tritriacontane-16,18-dione
Canonical SMILES: CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCCCC
Class: Organooxygen compounds
Disease: AD
PCNDIDT0115
Trolox
Canonical SMILES: CC1=C(C2=C(CCC(O2)(C)C(=O)O)C(=C1O)C)C
Class: Benzopyrans
Disease: AD
PCNDIDT0116
Tropigline
Canonical SMILES: CC=C(C)C(=O)OC1CC2CCC(C1)N2C
Class: Tropane alkaloids
Disease: Epilepsy
PCNDIDT0117
Troxerutin
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDT0118
Tryptamine
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CCN
Class: Indoles and derivatives
Disease: AD, PD
PCNDIDT0119
Tryptophan
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N
Class: Indoles and derivatives
Disease: AD
PCNDIDT0120
Tryptophol
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CCO
Class: Indoles and derivatives
Disease: Huntington disease
PCNDIDT0121
Tuberostemonine
Canonical SMILES: CCC1C2CCCCN3C2C(CC3C4CC(C(=O)O4)C)C5C1OC(=O)C5C
Class: Stemona alkaloids
Disease: AD
PCNDIDT0122
Tuberostemonone
Canonical SMILES: CCC1C2CCCCN(C2=O)C(CC(=O)C3C1OC(=O)C3C)C4CC(C(=O)O4)C
Class: Lactams
Disease: AD
PCNDIDT0123
Tuberostemospironine
Canonical SMILES: CC1C(C2(CCCCN3C2CCC3=O)OC1=O)O
Class: Stemona alkaloids
Disease: AD
PCNDIDT0124
Tubocurarine chloride
Canonical SMILES: CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC
Class: Organooxygen compounds
Disease: PD
PCNDIDT0125
Tubulosine
Canonical SMILES: CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=C(CCN4)C6=C(N5)C=CC(=C6)O)OC)OC
Class: Harmala alkaloids
Disease: AD
PCNDIDT0126
Turmeronol A
Canonical SMILES: CC1=C(C=C(C=C1)C(C)CC(=O)C=C(C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDT0127
Tussilagine
Canonical SMILES: CC1(CN2CCCC2C1C(=O)OC)O
Class: Pyrrolizidines
Disease: AD
PCNDIDT0128
Tylophorine
Canonical SMILES: COC1=C(C=C2C(=C1)C3=C(CN4CCCC4C3)C5=CC(=C(C=C52)OC)OC)OC
Class: Phenanthrenes and derivatives
Disease: AD
PCNDIDT0129
Tylophorinidine
Canonical SMILES: COC1=CC2=C(C=C1)C3=C(CN4CCCC4C3O)C5=CC(=C(C=C52)O)OC
Class: Phenanthrenes and derivatives
Disease: AD
PCNDIDT0130
Typhic acid
Canonical SMILES: CCC(C)OC(=O)C1=CC(CC2=C1C=CC=C2C(=CC(=O)O)O)C(=O)O
Class: Naphthalenes
Disease: AD
PCNDIDT0131
Tyramine
Canonical SMILES: C1=CC(=CC=C1CCN)O
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDT0132
Tyrosine
Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)O
Class: Carboxylic acids and derivatives
Disease: PD, Epilepsy