Structure Database (LMSD)
Common Name
alpha-Cryptoxanthin
Systematic Name
(3R,6'R)-β,ε-Caroten-3-ol
Synonyms
- Zeinoxanthin
- 3-Hydroxy-alpha-carotene
3D model of alpha-Cryptoxanthin
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)
NBZANZVJRKXVBH-NHWXEJKLSA-N
InChi (Click to copy)
InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-26,36-37,41H,15,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1
SMILES (Click to copy)
C1(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(C)=CCCC2(C)C)=C(C)C[C@@H](O)CC1(C)C
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Prochlorococcus marinus
(#1219)
Cyanophyceae
(#3028117)
Opposite chirality of α-carotene in unusual cyanobacteria with unique chlorophylls, Acaryochloris and Prochlorococcus.,
Plant Cell Physiol, 2012
Plant Cell Physiol, 2012
Pubmed ID:
22968452
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
2
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
655.59
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
11.72
Molar Refractivity
183.22
Admin
Created at
-
Updated at
22nd Mar 2024