Structure Database (LMSD)
Common Name
Anhydroprasinoxanthin
Systematic Name
(3S,6R,6'S)-3,6-Dihydroxy-2',3'-didehydro-7,8-dihydro-γ,ε-caroten-8-one
Synonyms
3D model of Anhydroprasinoxanthin
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)
NIHNIMGOYVRMKW-PRCBNDTESA-N
InChi (Click to copy)
InChI=1S/C40H54O3/c1-29(18-13-19-31(3)23-24-36-32(4)22-15-25-38(36,7)8)16-11-12-17-30(2)20-14-21-33(5)37(42)28-40(43)34(6)26-35(41)27-39(40,9)10/h11-25,35-36,41,43H,6,26-28H2,1-5,7-10H3/b12-11+,18-13+,20-14+,24-23+,29-16+,30-17+,31-19+,33-21+/t35-,36+,40+/m1/s1
SMILES (Click to copy)
C1C(C)(C)[C@](O)(CC(=O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(C)=CC=CC2(C)C)C(=C)C[C@H]1O
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Mantoniella squamata
(#13608)
Mamiellophyceae
(#1035538)
Additional carotenoid prototype representatives and a general chemosystematic evaluation of carotenoids in prasinophyceae (chlorophyta),
Phytochemistry, 1997
Phytochemistry, 1997
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
2
Aromatic Rings
Rotatable Bonds
11
Van der Waals Molecular Volume
670.53
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
10.16
Molar Refractivity
185.52
Admin
Created at
17th Nov 2021
Updated at
10th Jan 2022