Structure Database (LMSD)

Common Name
Ginkgetin
Systematic Name
Synonyms
  • Amentoflavone 7,4'-dimethyl ether
LM ID
LMPK12040003
Status
Active
Exact Mass
Calculate m/z
566.1213
Formula
C32H22O10
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
AIFCFBUSLAEIBR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-36H,1-2H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(OC)=C(C4=C(O)C=C(O)C5C(=O)C=C(C6=CC=C(O)C=C6)OC4=5)C=3)=CC(=O)C=2C(O)=C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ginkgo biloba (#3311)
Ginkgoopsida (#29811)
Flavonoids of Ginkgo biloba,
Ginkgo Biloba A Global Treasure, 1997

Other Databases

KEGG ID
C10048
HMDB ID
HMDB0033762
CHEBI ID
5353
PubChem CID
5271805
Cayman ID
25103

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 6
Aromatic Rings 6
Rotatable Bonds 5
Van der Waals Molecular Volume 468.26
Topological Polar Surface Area 159.80
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 10
logP 7.54
Molar Refractivity 154.81

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Created at
-
Updated at
8th Jun 2021