Structure database (LMSD)

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LM IDLMPK12070146
Common NameErycristagallin
Systematic Name3,9-Dihydroxy-2,10-diprenylpterocarpene
Synonyms-
Exact Mass
390.1831 (neutral)    Calculate m/z:
FormulaC25H26O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassPterocarpans [PK1207]
PubChem CID10362969
METABOLOMICS IDFLIDWXNI0001
InChIKeyVNTSSLCFFUCTNP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H26O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(
8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,26-27H,7-8,13H2,1-4H3
SMILESC1(O)=CC2OCC3C4C=CC(O)=C(C/C=C(/C)\C)C=4OC=3C=2C=C1C/C=C(\C)/C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings4Aromatic Rings3Rotatable Bonds4
 van der Waals
Molecular Volume
370.32Topological Polar
Surface Area
64.90Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP6.42Molar
Refractivity
115.58