Structure Database (LMSD)
Common Name
Quercetagetin
Systematic Name
Synonyms
3D model of Quercetagetin
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)
ZVOLCUVKHLEPEV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1O
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
Cayman ID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
3
Aromatic Rings
3
Rotatable Bonds
1
Van der Waals Molecular Volume
247.48
Topological Polar Surface Area
151.59
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
8
logP
2.59
Molar Refractivity
78.02
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Updated at
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