Structure Database (LMSD)
Common Name
Myxol 2'-chinovoside
Systematic Name
(3R,2'S)-2'-(α-L-Chinovosyloxy)-3',4'-didehydro-1',2'-dihydro-β,psi-carotene-3,1'-diol
Synonyms
3D model of Myxol 2'-chinovoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
MUCOHWBULSBLLZ-RUERJCQASA-N
InChi (Click to copy)
InChI=1S/C46H66O7/c1-31(17-12-13-18-32(2)20-15-23-34(4)25-27-39-36(6)29-38(47)30-45(39,8)9)19-14-21-33(3)22-16-24-35(5)26-28-40(46(10,11)51)53-44-43(50)42(49)41(48)37(7)52-44/h12-28,37-38,40-44,47-51H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,22-16+,27-25+,28-26+,31-17+,32-18+,33-21+,34-23+,35-24+/t37-,38+,40-,41-,42-,43+,44-/m0/s1
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/[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@H](C)O2)C(C)(O)C)=C(C)C[C@H]1O
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Stigonema ocellatum
(#221293)
Carotenoid composition of terrestrial Cyanobacteria: response to natural light conditions in open rock habitats in Venezuela,
Eur J Phycol, 2001
Eur J Phycol, 2001
Other Databases
Carotenoid ID
Calculated Physicochemical Properties
Heavy Atoms
53
Rings
2
Aromatic Rings
Rotatable Bonds
15
Van der Waals Molecular Volume
809.49
Topological Polar Surface Area
121.68
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
7
logP
10.83
Molar Refractivity
222.97
Admin
Created at
17th Nov 2021
Updated at
26th Nov 2021