Structure database (LMSD)

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LM IDLMPK12030011
Common NameGambiriin C
Systematic Name-
SynonymsEpiafzelechin-(4β->8)-catechin
Exact Mass
562.1475 (neutral)    Calculate m/z:
FormulaC30H26O11
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassProanthocyanidins [PK1203]
PubChem CID156680
KEGG IDC10228
CHEBI ID5271
InChIKeyKUODBSWFMJMVJV-UKWJTHFESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)29-27(39)26(24-20(36)8-15(32)9-23(24)40-29)25-21(37)11-18(34)16-10-22(38)28(41-30(16)25)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2/t22-,26+,27+,28+,29+/m0/s1
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SMILES
C1(O)=CC2O[C@H](C3C=CC(O)=CC=3)[C@H](O)[C@@H](C3=C(O)C=C(O)C4C[C@H](O)[C@@H](C5C=CC(O)=C(O)C=5)OC=43)C=2C(O)=C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms41Rings6Aromatic Rings4Rotatable Bonds3
 van der Waals
Molecular Volume
474.81Topological Polar
Surface Area
204.67Hydrogen
Bond Donors
9Hydrogen
Bond Acceptors
11
 logP3.86Molar
Refractivity
142.74