LIPID MAPS

Structure Database (LMSD)

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Common Name

Ginkgetin

Systematic Name

Synonyms

Amentoflavone 7,4'-dimethyl ether

LM ID

LMPK12040003

Formula

C₃₂H₂₂O₁₀

Exact Mass

Calculate m/z

566.1213

Status

Active

Show lipids differing only in stereochemistry/bond geometry

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

DOI: 10.1007/978-4-431-68416-9_22

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

Admin

Created at

Updated at

8th Jun 2021