LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Amentoflavone

Systematic Name

(4',5,7-Trihydroxyflavone)-(3'-8)-(4',5,7-trihydroxyflavone)

Synonyms

3',8''-biapigenin

LM ID

LMPK12040009

Formula

C₃₀H₁₈O₁₀

Exact Mass

Calculate m/z

538.09

Status

Active

Show lipids differing only in stereochemistry/bond geometry

View MassBank spectra

View ion mobility data

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

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

String Representations

InChiKey (Click to copy)

YUSWMAULDXZHPY-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H

SMILES (Click to copy)

C1(O)=CC2OC(C3C=CC(O)=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

Other Databases

Wikipedia

Amentoflavone

KEGG ID

C10018

HMDB ID

HMDB0030832

CHEBI ID

2631

PubChem CID

5281600

Cayman ID

21779

PDB ID

A1D6Q

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

Admin

Created at

Updated at

12th Jun 2024