Structure database (LMSD)

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LM IDLMPK12070030
Common NameIsomedicarpin
Systematic Name9-Hydroxy-3-methoxypterocarpan
Synonyms-
Exact Mass
270.0892 (neutral)    Calculate m/z:
FormulaC16H14O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassPterocarpans [PK1207]
PubChem CID13803637
METABOLOMICS IDFLID1ANS0003
HMDB IDHMDB0033305
InChIKeyYHZDBBUEVZEOIY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H14O4/c1-18-10-3-5-12-14(7-10)19-8-13-11-4-2-9(17)6-15(11)20-16(12)1
3/h2-7,13,16-17H,8H2,1H3
SMILESC1(OC)C=CC2C3OC4=CC(O)=CC=C4C3COC=2C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings4Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
233.44Topological Polar
Surface Area
52.06Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP3.30Molar
Refractivity
73.20