Basic information
- CAS
37484-73-4- Standard SMILES
O=C(Oc1cc(O)cc2c1C[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](c1cc(O)c(O)c(O)c1)O2)c1cc(O)c(O)c(O)c1- InChIKey
RKUDRJTZBDEGNP-YIXXDRMTSA-N- Molecular formula
- C29H22O15
- Average molar mass
- 610.5 g/mol
- Monoisotopic mass
- 610.09586999
Overview
Epigallocatechin 3,5-Digallate is a catechin.
Names & identifiers
- Preferred name
- Epigallocatechin 3,5,-di-O-gallate
- IUPAC
- [(2R,3R)-7-hydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Names & synonyms
Epigallocatechin 3,5,-di-O-gallate[(2R,3R)-7-hydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate((2R,3R)-7-hydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl) 3,4,5-trihydroxybenzoateRefChem:1084143EPIGALLOCATECHIN 3,5-DIGALLATE37484-73-4(-)-epigallocatechin 3,5-digallateEGCDG(-)-epigallocatechin 3,5-di-O-gallateSpectrum_000198SpecPlus_000282Spectrum2_000577
Show more names
Spectrum3_000681Spectrum4_001521Spectrum5_000022BSPBio_002401KBioGR_001922KBioSS_000678DivK1c_006378SPBio_000394
Database identifiers
- CAS
37484-73-4- PubChem CID
- 467299
- DTXSID
DTXSID301297609- ChEMBL
CHEMBL349338- ChEBI
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 264 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 7
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 977
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavans, Flavanols and Leucoanthocyanidins [PK1202]
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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