Structure Database (LMSD)
Common Name
1,1'-(OH)2-3,4,3',4'-Tetradehydrolycopene
Systematic Name
3,4,3',4'-Tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
Synonyms
- Didemethylspirilloxanthin
3D model of 1,1'-(OH)2-3,4,3',4'-Tetradehydrolycopene
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
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Gemmatimonas aurantiaca
(#173480)
Gemmatimonadia
(#219685)
Carotenoids of Gemmatimonas aurantiaca (Gemmatimonadetes): identification of a novel carotenoid, deoxyoscillol 2-rhamnoside, and proposed biosynthetic pathway of oscillol 2,2'-dirhamnoside.,
Microbiology (Reading), 2010
Microbiology (Reading), 2010
Pubmed ID:
19959572
String Representations
InChiKey (Click to copy)
IQIARCSIQXDGQJ-BYFNTCMGSA-N
InChi (Click to copy)
InChI=1S/C40H56O2/c1-33(21-13-23-35(3)25-15-27-37(5)29-17-31-39(7,8)41)19-11-12-20-34(2)22-14-24-36(4)26-16-28-38(6)30-18-32-40(9,10)42/h11-30,41-42H,31-32H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,26-16+,29-17+,30-18+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
SMILES (Click to copy)
CC(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(\C)/C=C/C=C(\C)/C=C/CC(C)(O)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
-
Updated at
13th Jun 2025