Carotenoids obi
All carotenoids     All organisms   Feedback
Carotenoids DB          Carotenoids DB: CA00070   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible pathways   ]
Entry
CA00070                                                            

Classification
Carotenoid Name
3,4-Dehydrorhodopin;
3,4-Didehydrorhodopin
IUPAC name 3,4-Didehydro-1,2-dihydro-psi,psi-caroten-1-ol
Formula
C40H56O
Molecular Weight 
552.848 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12
Number of
conjugated multiple bonds 
12
Isomers 
InChI
InChI=1S/C40H56O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-21,23-31,41H,13,22,32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
InChIKey
YNXUITAACINYQG-VWQKURAKSA-N
Canonical SMILES
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\CC(O)(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C
XLogP
13.364
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
1
LipinskiFailures
2
Complexity of molecule
0.000
Number of heavy atoms
41
TPSA
(Topological Polar Surface Area) 
20.230 Å2
Source organisms
Rhodopseudomonas palustris (Ref.336, Ref.344) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria
Rhodobacter capsulatus (Ref.353) - Alphaproteobacteria: photosynthetic purple nonsulfur bacterium
References
  • Ref.336 : Zhang, Tong; Zhu, Rui-yan; Hui, Bo-di; Yang, Bo-yuan, Shipin Kexue (Beijing, China) (2013), 34(21), 283-291., "Lycopene biosynthesis in Rhodopseudomonas palustris".
  • Ref.344 : Zhao, Chun-gui; Fu, Qiao-ming; Zhuo, Min-quan; Yang, Su-ping, Weishengwuxue Tongbao (2014), 41(7), 1448-1455., "The relative polarity and stability of each carotenoid of spirilloxanthin biosynthesis pathway by thin-layer chromatography (TLC)".
  • Ref.353 : Maoka, Takashi; Matsumura, Akihiko; Ito, Yoshihiro; Okuda, Yoko; Mochida, Koichi, Jpn. Kokai Tokkyo Koho (1996), JP 08239658 A 19960917., "Antioxidants of Rhodobacter".
  • CAS
    6806-83-3
    Links to other DB
    KEGG COMPOUND: C15874
    LipidBank: VCA1033
    MassBank: CA000132
    ProCarDB: C0502

       Search other references with Google Scholar