Structure Database (LMSD)
Common Name
Isocryptoxanthin
Systematic Name
β,β-Caroten-4-ol
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Isocryptoxanthin
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)
JCRCKXUPYKELBT-QQGJMDNJSA-N
InChi (Click to copy)
InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26,38,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+
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/C2=C(C)CCCC2(C)C)=C(C)C(O)C1
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Corbicula
(#45948)
Bivalvia
(#6544)
Carotenoids in three species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam).,
J Agric Food Chem, 2005
J Agric Food Chem, 2005
Pubmed ID:
16218688
Oscillatoria princeps
(#132603)
γ-Carotene and lycopene oscillatoria princeps,
Phytochemistry, 1972
Phytochemistry, 1972
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
2
Aromatic Rings
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
11.86
Molar Refractivity
183.29
Admin
Created at
17th Nov 2021
Updated at
2nd Dec 2021