Structure Database (LMSD)
Common Name
Methoxy-keto-myxocoxanthin
Systematic Name
1'-Methoxy-3',4'-didehydro-1',2'-dihydro-β,psi-caroten-4-one
Synonyms
3D model of Methoxy-keto-myxocoxanthin
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
Curated from
NCBI taxonomy class
Reference
Roseiflexus castenholzii
(#120962)
Chloroflexia
(#32061)
Absence of carotenes and presence of a tertiary methoxy group in a carotenoid from a thermophilic filamentous photosynthetic bacterium Roseiflexus castenholzii.,
Plant Cell Physiol, 2001
Plant Cell Physiol, 2001
Pubmed ID:
11773528
String Representations
InChiKey (Click to copy)
GWFSOJYZTHARJN-CXDNDDJYSA-N
InChi (Click to copy)
InChI=1S/C41H56O2/c1-32(20-14-22-34(3)23-15-24-35(4)26-17-30-41(9,10)43-11)18-12-13-19-33(2)21-16-25-36(5)27-28-38-37(6)39(42)29-31-40(38,7)8/h12-28H,29-31H2,1-11H3/b13-12+,20-14+,21-16+,23-15+,26-17+,28-27+,32-18+,33-19+,34-22+,35-24+,36-25+
SMILES (Click to copy)
C1C(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)(OC)C)=C(C)C(=O)C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
1
Aromatic Rings
Rotatable Bonds
14
Van der Waals Molecular Volume
688.76
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
11.86
Molar Refractivity
190.56
Admin
Created at
17th Nov 2021
Updated at
29th Nov 2021