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


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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
HMDB ID
CHEBI ID
PubChem CID
Cayman ID

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