Structure Database (LMSD)
Common Name
Isoanhydroicaritin
Systematic Name
Synonyms
3D model of Isoanhydroicaritin
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)
RJANATGWWPNKAL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O6/c1-11(2)4-9-14-16(26-3)10-15(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(22)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3
SMILES (Click to copy)
C1(OC)=C(C/C=C(/C)\C)C2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(O)=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
3
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
331.06
Topological Polar Surface Area
100.13
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
4.99
Molar Refractivity
102.71
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Created at
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Updated at
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