Structure Database (LMSD)
Common Name
Dihydrolutein
Systematic Name
(3R,3'R,6'R)-7',8'-Dihydro-β,ε-carotene-3,3'-diol
Synonyms
- 7',8'-Dihydrolutein
3D model of Dihydrolutein
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)
BVQZFYCQXRWKGU-KTHHOQBFSA-N
InChi (Click to copy)
InChI=1S/C40H58O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,26,35-36,38,41-42H,22,24-25,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36+,38+/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)/CC[C@H]2C(C)=C[C@H](O)CC2(C)C)=C(C)C[C@H]1O
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Bathycoccus prasinos
(#41875)
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
42
Rings
2
Aromatic Rings
Rotatable Bonds
11
Van der Waals Molecular Volume
667.02
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
11.20
Molar Refractivity
185.22
Admin
Created at
17th Nov 2021
Updated at
22nd Dec 2021