Structure database (LMSD)

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LM IDLMPK12150003
Common NameGericudranins C
Systematic Name-
Synonyms6-p-hydroxybenzyltaxifolin
Exact Mass
410.1002 (neutral)    Calculate m/z:
FormulaC22H18O8
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassDihydroflavonols [PK1215]
PubChem CID10364206
InChIKeyIZMNVBVTTBCDSK-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H18O8/c23-12-4-1-10(2-5-12)7-13-15(25)9-17-18(19(13)27)20(28)21(29)2
2(30-17)11-3-6-14(24)16(26)8-11/h1-6,8-9,21-27,29H,7H2
SMILESC1(O)=CC2OC(C3C=CC(O)=C(O)C=3)C(O)C(=O)C=2C(O)=C1CC1C=CC(O)=CC=1
StatusActive
ReferencesPhytochemistry, 1996, 41, 213-216
Calculated physicochemical properties (?):
 Heavy Atoms30Rings4Aromatic Rings3Rotatable Bonds3
 van der Waals
Molecular Volume
350.94Topological Polar
Surface Area
149.75Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
8
 logP2.77Molar
Refractivity
104.67