Structure Database (LMSD)
Common Name
18'-Hydroxytorulene
Systematic Name
3',4'-Didehydro-β,psi-caroten-18'-ol
Synonyms
3D model of 18'-Hydroxytorulene
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)
KOOCNDCXBAIOHI-QTYVSJNWSA-N
InChi (Click to copy)
InChI=1S/C40H54O/c1-32(2)17-12-26-38(31-41)27-15-24-35(5)22-13-20-33(3)18-10-11-19-34(4)21-14-23-36(6)28-29-39-37(7)25-16-30-40(39,8)9/h10-15,17-24,26-29,41H,16,25,30-31H2,1-9H3/b11-10+,20-13+,21-14+,24-15+,26-12+,29-28+,33-18+,34-19+,35-22+,36-23+,38-27-
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(\CO)/C=C/C=C(\C)/C)=C(C)CC1
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Myxococcus sp.
(#1929279)
Deltaproteobacteria
(#28221)
Carotenoidsof the Fruiting Gliding Myxobacterium, Myxococeus sp. MY-18, Isolated from Lake Sediment: Accumulation of Phyteene and Keto-myxocoxanthin Glucoside Ester,
Bioscience, Biotechnology, and Biochemistry, 1995
Bioscience, Biotechnology, and Biochemistry, 1995
DOI:
10.1271/bbb.59.464
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
1
Aromatic Rings
Rotatable Bonds
13
Van der Waals Molecular Volume
662.67
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
11.81
Molar Refractivity
185.29
Admin
Created at
17th Nov 2021
Updated at
25th Nov 2021