Structure Database (LMSD)
Common Name
1-Hydroxy-1,2-dihydroneurosporene
Systematic Name
1,2,7,8-Tetrahydro-psi,psi-caroten-1-ol
Synonyms
3D model of 1-Hydroxy-1,2-dihydroneurosporene
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)
RFXBQLOSFSXIMN-URMRDFKVSA-N
InChi (Click to copy)
InChI=1S/C40H60O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-16,19-21,23-28,30,41H,13,17-18,22,29,31-32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
SMILES (Click to copy)
C(=C(/C)\CCCC(C)(C)O)/CC/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=C(\C)/C
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Neurospora crassa
(#5141)
Sordariomycetes
(#147550)
A single five-step desaturase is involved in the carotenoid biosynthesis pathway to beta-carotene and torulene in Neurospora crassa.,
Fungal Genet Biol, 2000
Fungal Genet Biol, 2000
Pubmed ID:
11017770
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
Aromatic Rings
Rotatable Bonds
18
Van der Waals Molecular Volume
680.31
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
12.64
Molar Refractivity
187.66
Admin
Created at
17th Nov 2021
Updated at
22nd Nov 2021