LIPID MAPS

Structure Database (LMSD)

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Common Name

Isoginkgetin

Systematic Name

8-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

Synonyms

LM ID

LMPK12040012

Formula

C₃₂H₂₂O₁₀

Exact Mass

Calculate m/z

566.1213

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Ginkgo biloba (#3311)

Ginkgoopsida (#29811)

Flavonoids of Ginkgo biloba,
Ginkgo Biloba A Global Treasure, 1997

Pubmed ID: 18826947

DOI: 10.1074/jbc.M805556200

String Representations

InChiKey (Click to copy)

HUOOMAOYXQFIDQ-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C32H22O10/c1-39-18-6-3-15(4-7-18)26-14-24(38)31-22(36)12-21(35)29(32(31)42-26)19-9-16(5-8-25(19)40-2)27-13-23(37)30-20(34)10-17(33)11-28(30)41-27/h3-14,33-36H,1-2H3

SMILES (Click to copy)

C1(O)=CC2OC(C3C=CC(OC)=C(C4=C(O)C=C(O)C5C(=O)C=C(C6=CC=C(OC)C=C6)OC4=5)C=3)=CC(=O)C=2C(O)=C1

Other Databases

CHEBI ID

79087

PubChem CID

5318569

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

8th Jun 2021

Updated at