Structure Database (LMSD)
Common Name
1',2'-Dihydro-1'-hydroxytorulene rhamnoside
Systematic Name
1'-Rhamnosyloxy-3',4'-didehydro-1',2'-dihydro-β,psi-carotene
Synonyms
3D model of 1',2'-Dihydro-1'-hydroxytorulene rhamnoside
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)
QLXWCCHBGNMCPE-LGXHBDGYSA-N
InChi (Click to copy)
InChI=1S/C46H66O5/c1-33(19-12-13-20-34(2)22-16-26-37(5)29-30-40-38(6)28-18-31-45(40,8)9)21-14-23-35(3)24-15-25-36(4)27-17-32-46(10,11)51-44-43(49)42(48)41(47)39(7)50-44/h12-17,19-27,29-30,39,41-44,47-49H,18,28,31-32H2,1-11H3/b13-12+,21-14+,22-16+,24-15+,27-17+,30-29+,33-19+,34-20+,35-23+,36-25+,37-26+/t39-,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/CC(C)(O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)C)=C(C)CC1
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Sorangium cellulosum
(#56)
Deltaproteobacteria
(#28221)
Carotenoid pigments of Sorangium compositum (Myxobacterales) including two new carotenoid glucoside esters and two new carotenoid rhamnosides.,
Arch Mikrobiol, 1971
Arch Mikrobiol, 1971
Pubmed ID:
5099150
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
51
Rings
2
Aromatic Rings
Rotatable Bonds
15
Van der Waals Molecular Volume
791.91
Topological Polar Surface Area
81.22
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
12.31
Molar Refractivity
219.17
Admin
Created at
17th Nov 2021
Updated at
26th Nov 2021