Structure Database (LMSD)
Common Name
Patuletin
Systematic Name
3,5,7,3',4'-Pentahydroxy-6-methoxyflavone
Synonyms
- 6-Methoxyquercetin
3D model of Patuletin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
JMIFIYIEXODVTO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O8/c1-23-16-9(19)5-10-11(13(16)21)12(20)14(22)15(24-10)6-2-3-7(17)8(18)4-6/h2-5,17-19,21-22H,1H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1OC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
3
Aromatic Rings
3
Rotatable Bonds
2
Van der Waals Molecular Volume
264.78
Topological Polar Surface Area
140.59
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
8
logP
2.90
Molar Refractivity
82.90
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Updated at
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