Structure database (LMSD)

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LM IDLMPK12070019
Common NameErythrabyssin II
Systematic Name3,9-Dihydroxy-2,10-diprenylpterocarpan
Synonyms-
Exact Mass
392.1988 (neutral)    Calculate m/z:
FormulaC25H28O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassPterocarpans [PK1207]
PubChem CID5086400
METABOLOMICS IDFLID1ANI0009
HMDB IDHMDB0034003
InChIKeyLDKAMVCGTURXMH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H28O4/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/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
SMILESC1(O)C(C/C=C(\C)/C)=CC2C3OC4=C(C/C=C(/C)\C)C(O)=CC=C4C3COC=2C=1
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