Carotenoids obi
All carotenoids     All organisms   Feedback
Carotenoids DB          Carotenoids DB: CA00908   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible pathways   ]
Entry
CA00908                                                            

Classification
Carotenoid Name
Nonaflavuxanthin
IUPAC name 2-(4-Hydroxy-3-methylbut-2-enyl)-1,3,4,16-tetradehydro-1,2-dihydro-psi,psi-carotene
Formula
C45H64O
Molecular Weight 
620.962 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/C45H62O/c1-36(2)19-14-22-40(7)25-17-28-41(8)26-15-23-38(5)20-12-13-21-39(6)24-16-27-42(9)29-18-30-43(10)31-33-45(37(3)4)34-32-44(11)35-46/h12-13,15-21,23-33,45-46H,3,14,22,34-35H2,1-2,4-11H3/b13-12+,23-15+,24-16+,28-17+,29-18+,33-31+,38-20+,39-21+,40-25+,41-26+,42-27+,43-30+,44-32+
InChIKey
UCNSJZXDWHQPTM-HJTQPQEFSA-N
Canonical SMILES
OC/C(=C/CC(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(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)/C
XLogP
14.608
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
46
TPSA
(Topological Polar Surface Area) 
20.230 Å2
Source organisms
Micrococcus luteus (Ref.384) - Actinobacteria: normal inhabitant of human, same as Micrococcus lysodeikticus
References
  • Ref.384 : Netzer, Roman; Brautaset, Trygve; Bruheim, Per, PCT Int. Appl. (2011), WO 2011151425 A1 20111208., "Discovery and cloning of a sarcinaxanthin biosynthesis gene cluster in Micrococcus luteus".
  • CAS
    360064-01-3
    Links to other DB
    KNApSAcK: C00023080
    ProCarDB: C1284

       Search other references with Google Scholar