PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Theaflavine
PCNDIDT0047
Pubchem CID : 135403798
Molecular formula: C29H24O12

Molecular weight : 564.500

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

Synonymes : 4670-05-7|3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-one|3,4,6-Trihydroxy-1,8-bis((2R,3R)-3,5,7-trihydroxychroman-2-yl)-5H-benzo[7]annulen-5-one|1,8-Bis(3-alpha,5,7-trihydroxy-2-alpha-chromanyl)-5H-benzocyclohepten-5-one|1,8-Bis((2R,3R)-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5H-benzocyclohepten-5-one|Spectrum_000527|SpecPlus_000296|THEAFLAVINE [MI]|Spectrum2_001765|Spectrum3_000698|Spectrum4_001488|Spectrum5_000195|SCHEMBL19551|BSPBio_002455|KBioGR_002095|KBioSS_001007|SPECTRUM200111|DivK1c_006392|SPBio_001629|Theaflavin, analytical standard|IPMYMEWFZKHGAX-ZKSIBHASSA-|KBio1_001336|KBio2_001007|KBio2_003575|KBio2_006143|KBio3_001675|DTXSID40196916|CHEBI:136609|5H-Benzocyclohepten-5-one, 1,8-bis(3-alpha,5,7-trihydroxy-2-alpha-chromanyl)-3,4,6-trihydroxy-|CCG-38815|MFCD03427500|CS-O-02536|SDCCGMLS-0066962.P001|NCGC00178645-01|AS-77138|A918751|3,4,6-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-5-one|3,4,5-TRIHYDROXY-1,8-BIS((2R,3R)-3,5,7-TRIHYDROXY-2-CHROMANYL)-6-BENZO(7)ANNULENONE|3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzo[7]annulen-6-one|3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzocyclohepten-6-one|3,4,6-Trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-5H-benzo[7]annulen-5-one|5H-BENZOCYCLOHEPTEN-5-ONE, 1,8-BIS((2R,3R)-3,5,7-TRIHYDROXY-2H-1-BENZOPYRAN-2-YL)-3,4,6-TRIHYDROXY

Structure
3D structure 2D structure
135403798
Predicted properties (NCBI Pubchem)

Physicochemical Properties