Structure Database (LMSD)

Common Name
Gossypetin 3,7,8,3',4'-pentamethyl ether
Systematic Name
5-Hydroxy-3,7,8,3',4'-pentamethoxyflavone
Synonyms
  • 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7,8-trimethoxy-4H-1-benzopyran-4-one
LM ID
LMPK12113254
Formula
C20H20O8
Exact Mass
Calculate m/z
388.11582
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
NPMMYTVKEWLZKD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O8/c1-23-12-7-6-10(8-13(12)24-2)17-20(27-5)16(22)15-11(21)9-14(25-3)18(26-4)19(15)28-17/h6-9,21H,1-5H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=C(OC)C(OC)=CC=3)=C(OC)C(=O)C=2C(O)=C1

Other Databases

HMDB ID
HMDB0029227
CHEBI ID
175927
METABOLOMICS ID
FL5FFCNS0024
PubChem CID
10200272

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 333.98
Topological Polar Surface Area 96.59
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
logP 4.11
Molar Refractivity 102.45

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Updated at
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