Structure Database (LMSD)
Common Name
Edulenanol
Systematic Name
Synonyms
3D model of Edulenanol
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)
OHJQLSXZAOJGEK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O5/c1-21(2)7-6-13-16(26-21)9-17-18(19(13)23-3)20-14(10-24-17)12-5-4-11(22)8-15(12)25-20/h4-9,14,20,22H,10H2,1-3H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(OC)C1C3OC4=CC(O)=CC=C4C3COC=1C=2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
5
Aromatic Rings
2
Rotatable Bonds
1
Van der Waals Molecular Volume
313.73
Topological Polar Surface Area
63.36
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
4.77
Molar Refractivity
97.45
Admin
Created at
-
Updated at
-