PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Esculin
PCNDIDE0066
Pubchem CID : 5281417
Molecular formula: C15H16O9

Molecular weight : 340.280

Canonical SMILES : C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O

Synonymes : Esculin|aesculin|531-75-9|Esculoside|Bicolorin|Enallachrome|Escosyl|(-)-Esculin|6,7-Dihydroxycoumarin 6-glucoside|Esculetin 6-O-glucoside|Aesculinum|Crataegin|Esculine|Venoplant|Esculetin 6-beta-D-glucoside|6,7-Dihydroxycoumarin-6-O-glucoside|Vitamin C2|Aesculetin glukosid|CHEBI:4853|Esculina|7-Hydroxy-6-cumarinyl-glucosid|6-(beta-D-Glucopyranosyloxy)-7-hydroxy-cumarin|esculetin glukosid|UNII-1Y1L18LQAF|1Y1L18LQAF|NSC-26665|CCRIS 5724|6-(beta-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one|DTXSID7045318|7-Hydroxy-6-glucosyloxy-2H-chromen|EINECS 208-517-5|NSC 26665|7-hydroxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one|7-Hydroxy-6-glucosyloxy-2H-chromene|DTXCID5025318|7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside|66778-17-4|7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one|7-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one|ESCULOSIDE [JAN]|6-(.beta.-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one|2H-1-Benzopyran-2-one, 6-(.beta.-D-glucopyranosyloxy)-7-hydroxy-|6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one|7-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy- 6-(hydroxymethyl)-2-tetrahydropyranyl]oxy}-2-chromenone|Schillerstoff|2H-1-Benzopyran-2-one, 6-(beta-D-glucopyranosyloxy)-7-hydroxy-|SR-01000633930|NCGC00016491-01|CAS-531-75-9|Aesculin (Esculin)|Spectrum_000361|ESCULIN [INCI]|ESCULIN [MI]|Spectrum2_000576|Spectrum3_000731|Spectrum4_001923|Spectrum5_000845|AESCULINUM [HPUS]|Esculetin 6-b-D-glucoside|SCHEMBL2893|ESCULOSIDE [WHO-DD]|BSPBio_002282|KBioGR_002266|KBioSS_000841|DivK1c_000956|SPECTRUM1500901|SPBio_000392|CHEMBL482581|BCBcMAP01_000202|Esculetin 6-.beta.-D-glucoside|HMS502P18|KBio1_000956|KBio2_000841|KBio2_003409|KBio2_005977|KBio3_001502|NINDS_000956|HMS1921M16|EX-A6781|HY-N0188|Tox21_110453|BDBM50480261|CCG-38501|MFCD00006879|s2258|AKOS015895151|CS-O-01441|DB13155|SDCCGMLS-0066653.P001|IDI1_000956|SMP1_000008|NCGC00094874-04|CS-0007892|7-Hydroxycoumarin-6-yl beta-D-Glucopyranoside|C09264|EN300-116211|6-(.beta.-D-Glucopyranosyloxy)-7-hydroxy-cumarin|A829428|Q376432|SR-01000633930-1|SR-01000633930-3|BRD-K51742987-001-02-3|BRD-K51742987-002-02-1|Esculin, European Pharmacopoeia (EP) Reference Standard|Z1494829512|2H-1-Benzopyran-2-one, 6-(.beta.-D-glucopyranosyloxy)-7-hydroxy-, sesquihydrate|7-hydroxy-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-2H-chromen-2-one|7-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one hydrate;Esculin Sesquihydrate|7OU

Structure
3D structure 2D structure
5281417
Predicted properties (NCBI Pubchem)

Physicochemical Properties