Structure Database (LMSD)
Common Name
Cirsiliol
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Cirsiliol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
IMEYGBIXGJLUIS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(O)=C(O)C=3)=CC(=O)C=2C(O)=C1OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
3
Aromatic Rings
3
Rotatable Bonds
3
Van der Waals Molecular Volume
273.29
Topological Polar Surface Area
109.36
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
3.49
Molar Refractivity
86.13
Admin
Created at
-
Updated at
-