Structure Database (LMSD)
Common Name
Aleuriaxanthin
Systematic Name
(2'R)-1',16'-Didehydro-1',2'-dihydro-β,psi-caroten-2'-ol
Synonyms
3D model of Aleuriaxanthin
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
Discina gigas
(#1032678)
Pezizomycetes
(#147549)
Investigations on carotenoids in fungi. VI. Representatives of the Helvellaceae and Morchellaceae
String Representations
InChiKey (Click to copy)
QNZZRCYICVHHEE-AYSHKJLBSA-N
InChi (Click to copy)
InChI=1S/C40H56O/c1-31(2)39(41)29-27-36(7)24-15-22-34(5)21-13-19-32(3)17-11-12-18-33(4)20-14-23-35(6)26-28-38-37(8)25-16-30-40(38,9)10/h11-15,17-24,26,28,39,41H,1,16,25,27,29-30H2,2-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,32-17+,33-18+,34-21+,35-23+,36-24+/t39-/m1/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)/CC[C@@H](O)C(C)=C)=C(C)CC1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
1
Aromatic Rings
Rotatable Bonds
14
Van der Waals Molecular Volume
665.31
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
12.03
Molar Refractivity
185.38
Admin
Created at
17th Nov 2021
Updated at
25th Nov 2021