LIPID MAPS

Structure Database (LMSD)

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Common Name

Robustaflavone

Systematic Name

Synonyms

3',6''-biapigenin

LM ID

LMPK12040005

Formula

C₃₀H₁₈O₁₀

Exact Mass

Calculate m/z

538.09

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Toxicodendron succedaneum (#269721)

Magnoliopsida (#3398)

Robustaflavone from the seed-kernels of Rhus succedanea,
Phytochemistry, 1974

DOI: 10.1016/0031-9422(74)80342-0

String Representations

InChiKey (Click to copy)

BORWSEZUWHQTOK-UHFFFAOYSA-N

InChi (Click to copy)

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

SMILES (Click to copy)

C1(O)=CC2OC(C3C=CC(O)=C(C4=C(O)C=C5OC(C6=CC=C(O)C=C6)=CC(=O)C5=C4O)C=3)=CC(=O)C=2C(O)=C1

Other Databases

KEGG ID

C10179

CHEBI ID

8881

PubChem CID

5281694

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

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Created at

Updated at

21st Mar 2024