Structure Database (LMSD)
Common Name
Axillarin
Systematic Name
3,6-Dimethoxy-5,7,3',4'-tetrahydroxyflavone
Synonyms
- Quercetagetin 3,6-dimethyl ether
3D model of Axillarin
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)
KIGVXRGRNLQNNI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O8/c1-23-16-10(20)6-11-12(13(16)21)14(22)17(24-2)15(25-11)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(OC)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
25
Rings
3
Aromatic Rings
3
Rotatable Bonds
3
Van der Waals Molecular Volume
282.08
Topological Polar Surface Area
129.59
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
8
logP
3.20
Molar Refractivity
87.79
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