Structure Database (LMSD)
Common Name
Cryptoxanthin diepoxide
Systematic Name
5,6:5',6'-Diepoxy-5,6,5',6'-tetrahydro-β,β-caroten-3-ol
Synonyms
3D model of Cryptoxanthin diepoxide
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)
ONQKWANDXQNLEJ-CGYYJCQDSA-N
InChi (Click to copy)
InChI=1S/C40H56O3/c1-30(18-13-20-32(3)22-26-39-35(5,6)24-15-25-37(39,9)42-39)16-11-12-17-31(2)19-14-21-33(4)23-27-40-36(7,8)28-34(41)29-38(40,10)43-40/h11-14,16-23,26-27,34,41H,15,24-25,28-29H2,1-10H3/b12-11+,18-13+,19-14+,26-22+,27-23+,30-16+,31-17+,32-20+,33-21+
SMILES (Click to copy)
C1C(C)(C)C2(OC2(C)CC1O)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C12OC1(C)CCCC2(C)C
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Nannochloropsis oculata
(#43925)
Eustigmatophyceae
(#5747)
The keto-carotenoids of two marine coccoid members of the Eustigmatophyceae,
Brit Phycol J, 1981
Brit Phycol J, 1981
Diacronema lutheri
(#2081491)
Carotenoids of Prymnesiophyceae (Haptophyceae),
Biochem Syst Ecol, 1977
Biochem Syst Ecol, 1977
Citrus reticulata
(#85571)
Magnoliopsida
(#3398)
Fruit Juice Carotenol Fatty Acid Esters and Carotenoids As Identified by Matrix-Assisted Laser Desorption Ionization (MALDI) Mass Spectrometry,
J. Agric. Food Chem., 1996
J. Agric. Food Chem., 1996
DOI:
10.1021/jf960057y
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
4
Aromatic Rings
Rotatable Bonds
10
Van der Waals Molecular Volume
653.73
Topological Polar Surface Area
45.29
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
11.43
Molar Refractivity
184.38
Admin
Created at
17th Nov 2021
Updated at
8th Dec 2021