Structure Database (LMSD)
Common Name
Antheraxanthin B
Systematic Name
(3S,5S,6R,3'R)-5,6-Epoxy-5,6-dihydro-β,β-carotene-3,3'-diol
Synonyms
3D model of Antheraxanthin B
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)
OFNSUWBAQRCHAV-ZFOACMAHSA-N
InChi (Click to copy)
InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40-/m1/s1
SMILES (Click to copy)
C1C(C)(C)[C@]2(O[C@@]2(C)C[C@H]1O)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Rhinogobius brunneus
(#933223)
Actinopteri
(#186623)
Isolation of stereoisomeric epoxy carotenoids and new acetylenic carotenoid from the common freshwater goby Rhinogobius brunneus.,
J Nat Prod, 2000
J Nat Prod, 2000
Pubmed ID:
10924174
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
3
Aromatic Rings
Rotatable Bonds
10
Van der Waals Molecular Volume
663.45
Topological Polar Surface Area
52.99
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
10.90
Molar Refractivity
185.74
Admin
Created at
17th Nov 2021
Updated at
3rd Dec 2021