Structure Database (LMSD)
Common Name
1,2-Dihydroxy-3,4-didehydrolycopene
Systematic Name
3,4-Didehydro-1,2-dihydro-psi,psi-carotene-1,2-diol
Synonyms
3D model of 1,2-Dihydroxy-3,4-didehydrolycopene
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
Biological Context
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Chondromyces apiculatus
(#51)
Imported from Carotenoids DB http://carotenoiddb.jp/
String Representations
InChiKey (Click to copy)
DBXCVRBPPRBFRM-PLKLGRONSA-N
InChi (Click to copy)
InChI=1S/C40H56O2/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39(41)40(9,10)42/h11-12,14-20,22-31,39,41-42H,13,21H2,1-10H3/b12-11+,22-14+,23-15+,27-16+,28-17+,31-30+,33-19+,34-20+,35-24+,36-25+,37-26+,38-29+
SMILES (Click to copy)
C(=C(/C)\C=C\C(O)C(C)(C)O)/C=C/C(/C)=C/C=C/C(/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
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
683.82
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
11.45
Molar Refractivity
189.38
Admin
Created at
17th Nov 2021
Updated at
22nd Nov 2021