Structure database (LMSD)

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LM IDLMPK12070042
Common NameErycristin
Systematic Name(6aR,11aR)-3-Hydroxy-9-methoxy-2,10-diprenylpterocarpan
Synonyms-
Exact Mass
406.2144 (neutral)    Calculate m/z:
FormulaC26H30O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassPterocarpans [PK1207]
PubChem CID13994537
METABOLOMICS IDFLID1CNI0003
InChIKeyOFTVQUQKDYNGED-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C26H30O4/c1-15(2)6-8-17-12-20-24(13-22(17)27)29-14-21-18-10-11-23(28-5)
19(9-7-16(3)4)25(18)30-26(20)21/h6-7,10-13,21,26-27H,8-9,14H2,1-5H3
SMILESC1(O)=CC2OCC3C4C=CC(OC)=C(C/C=C(/C)\C)C=4OC3C=2C=C1C/C=C(\C)/C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings4Aromatic Rings2Rotatable Bonds5
 van der Waals
Molecular Volume
401.16Topological Polar
Surface Area
52.06Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP6.31Molar
Refractivity
119.47