Structure Database (LMSD)

Common Name
Cupressuflavone
Systematic Name
Synonyms
  • 8,8''-biapigenin
LM ID
LMPK12040010
Formula
C30H18O10
Exact Mass
Calculate m/z
538.09
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Biflavonoids and polyflavonoids [PK1204]

String Representations

InChiKey (Click to copy)
LADPNODMUXOPRG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H
SMILES (Click to copy)
C12C(=O)C=C(C3=CC=C(O)C=C3)OC=1C(C1C3OC(C4C=CC(O)=CC=4)=CC(=O)C=3C(O)=CC=1O)=C(O)C=C2O

Other Databases

KEGG ID
C10034
CHEBI ID
3960
PubChem CID
5281609

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 6
Aromatic Rings 6
Rotatable Bonds 3
Van der Waals Molecular Volume 433.66
Topological Polar Surface Area 181.80
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 6.93
Molar Refractivity 145.04

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Updated at
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