Structure Database (LMSD)
Common Name
(9Z)-Lycopen-20-ol
Systematic Name
(9Z)-psi,psi-Carotene-20-ol
Synonyms
- Lycopen-20-ol
- Warmingol
3D model of (9Z)-Lycopen-20-ol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
String Representations
InChiKey (Click to copy)
KGEHWBLVZVNSQJ-AGUWHANASA-N
InChi (Click to copy)
InChI=1S/C40H56O/c1-33(2)18-12-21-36(6)24-15-27-38(8)26-14-23-35(5)20-10-11-30-40(32-41)31-17-29-39(9)28-16-25-37(7)22-13-19-34(3)4/h10-11,14-20,23-31,41H,12-13,21-22,32H2,1-9H3/b11-10+,23-14+,27-15+,28-16+,31-17+,35-20+,36-24+,37-25+,38-26+,39-29-,40-30-
SMILES (Click to copy)
C(=C(/C)\CC/C=C(\C)/C)/C=C/C(/C)=C\C=C\C(\CO)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CC/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
Aromatic Rings
Rotatable Bonds
17
Van der Waals Molecular Volume
675.03
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
12.20
Molar Refractivity
187.47
Admin
Created at
17th Nov 2021
Updated at
22nd Nov 2021