Structure Database (LMSD)
Common Name
7a-O-Methyldeguelol
Systematic Name
Synonyms
3D model of 7a-O-Methyldeguelol
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)
SYOGFYMIPOYTIT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H24O6/c1-23(2)9-7-14-17(29-23)6-5-15(22(14)25)21(24)13-8-10-28-18-12-20(27-4)19(26-3)11-16(13)18/h5-7,9,11-13,25H,8,10H2,1-4H3
SMILES (Click to copy)
C1C=C2OC(C)(C)C=CC2=C(O)C=1C(=O)C1CCOC2C=C(OC)C(OC)=CC1=2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
4
Aromatic Rings
2
Rotatable Bonds
4
Van der Waals Molecular Volume
366.84
Topological Polar Surface Area
78.36
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
4.91
Molar Refractivity
109.58
Admin
Created at
-
Updated at
-