Structure database (LMSD)

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LM IDLMPK12070046
Common NameLeiocarpin
Systematic Name-
Synonyms-
Exact Mass
350.1154 (neutral)    Calculate m/z:
FormulaC21H18O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassPterocarpans [PK1207]
PubChem CID14608889
METABOLOMICS IDFLID1CNP0002
InChIKeyPAAJONLTKBLVPE-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H18O5/c1-21(2)6-5-11-15(26-21)4-3-12-19(11)22-9-14-13-7-17-18(24-10-
23-17)8-16(13)25-20(12)14/h3-8,14,20H,9-10H2,1-2H3
SMILESC12OC(C)(C)C=CC=1C1OCC3C4=CC5OCOC=5C=C4OC3C=1C=C2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings6Aromatic Rings2Rotatable Bonds0
 van der Waals
Molecular Volume
301.37Topological Polar
Surface Area
56.50Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP4.78Molar
Refractivity
95.36