Structure database (LMSD)

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LM IDLMPK12070043
Common NameErybraedin C
Systematic Name(6aR,11aR)-3,9-Dihydroxy-4,8-diprenylpterocarpan
Synonyms-
Exact Mass
392.1988 (neutral)    Calculate m/z:
FormulaC25H28O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassPterocarpans [PK1207]
PubChem CID11581938
METABOLOMICS IDFLID1CNI0004
InChIKeySAXBNTXROWQAKX-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H28O4/c1-14(2)5-7-16-11-19-20-13-28-24-17(8-6-15(3)4)21(26)10-9-18(2
4)25(20)29-23(19)12-22(16)27/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
SMILESC1(O)=C(C/C=C(\C)/C)C2OCC3C4C=C(C/C=C(\C)/C)C(O)=CC=4OC3C=2C=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings4Aromatic Rings2Rotatable Bonds4
 van der Waals
Molecular Volume
383.86Topological Polar
Surface Area
63.06Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP6.01Molar
Refractivity
114.58