Structure database (LMSD)

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LM IDLMPK12040004
Common NameHinokiflavone
Systematic Name-
Synonyms-
Exact Mass
538.0900 (neutral)    Calculate m/z:
FormulaC30H18O10
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassBiflavonoids and polyflavonoids [PK1204]
PubChem CID42607509
KEGG IDC10057
InChIKeyDFAXUEHGJFANJA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-22(36)13-26(29(37)30(28)40-24)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-33,36-37H
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SMILES
C1(O)=CC2OC(C3C=CC(OC4=C(O)C5OC(C6C=CC(O)=CC=6)=CC(=O)C=5C(O)=C4)=CC=3)=CC(=O)C=2C(O)=C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms40Rings6Aromatic Rings6Rotatable Bonds4
 van der Waals
Molecular Volume
433.66Topological Polar
Surface Area
170.80Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
10
 logP7.35Molar
Refractivity
144.45