Structure database (LMSD)

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LM IDLMPK12070026
Common NameErybraedin D
Systematic Name(6aR,11aR)-3-Hydroxy-4-prenyl-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpan
Synonyms-
Exact Mass
390.1831 (neutral)    Calculate m/z:
FormulaC25H26O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassPterocarpans [PK1207]
PubChem CID471689
METABOLOMICS IDFLID1ANP0007
InChIKeyZWEQONVPSDWALR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H26O4/c1-14(2)5-6-16-20(26)8-7-17-23(16)27-13-19-18-11-15-9-10-25(3,
4)29-21(15)12-22(18)28-24(17)19/h5,7-12,19,24,26H,6,13H2,1-4H3
SMILESC1(O)=C(C/C=C(\C)/C)C2OCC3C4C=C5C=CC(C)(C)OC5=CC=4OC3C=2C=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings5Aromatic Rings2Rotatable Bonds2
 van der Waals
Molecular Volume
371.50Topological Polar
Surface Area
54.13Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP6.27Molar
Refractivity
114.03