Structure Database (LMSD)
Common Name
Monoanhydroeschscholtzxanthin
Systematic Name
(3S)-2',3',4',5'-Tetradehydro-4,5'-retro-β,β-caroten-3-ol
Synonyms
3D model of Monoanhydroeschscholtzxanthin
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)
MSJNXGZSUAPJJA-PVUYRUFZSA-N
InChi (Click to copy)
InChI=1S/C40H52O/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/h11-28,36,41H,29H2,1-10H3/b16-11+,17-12+,20-13+,21-14+,30-18+,31-19+,32-23+,33-24+,37-25-,38-26-/t36-/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)=C/C=C2\C(C)(C)C=CC=C\2C)/C(C)(C)C[C@@H]1O
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Buxus sempervirens
(#4002)
Magnoliopsida
(#3398)
The leaves of the common box,Buxus sempervirens (Buxaceae), become red as the level of a red carotenoid, anhydroeschscholtzxanthin, increases,
J Plant Res, 1995
J Plant Res, 1995
DOI:
10.1007/BF02344362
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
2
Aromatic Rings
Rotatable Bonds
9
Van der Waals Molecular Volume
650.31
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
11.41
Molar Refractivity
183.11
Admin
Created at
17th Nov 2021
Updated at
1st Dec 2021