Structure Database (LMSD)
Common Name
Rhodopinol
Systematic Name
(13Z)-1,2-Dihydro-psi,psi-carotene-1,20-diol
Synonyms
3D model of Rhodopinol
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)
XMXRPRQNVZIVTC-XQHLYSSHSA-N
InChi (Click to copy)
InChI=1S/C40H58O2/c1-33(2)18-12-20-35(4)22-14-24-36(5)23-13-21-34(3)19-10-11-29-39(32-41)30-16-27-37(6)25-15-26-38(7)28-17-31-40(8,9)42/h10-11,13-16,18-19,21-27,29-30,41-42H,12,17,20,28,31-32H2,1-9H3/b11-10+,21-13+,24-14+,25-15+,30-16+,34-19+,35-22+,36-23+,37-27+,38-26+,39-29+
SMILES (Click to copy)
C(/CO)(\C=C\C=C(/C)\C=C\C=C(/C)\CCCC(C)(O)C)=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
42
Rings
Aromatic Rings
Rotatable Bonds
18
Van der Waals Molecular Volume
686.46
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
11.68
Molar Refractivity
189.47
Admin
Created at
17th Nov 2021
Updated at
22nd Nov 2021