Structure Database (LMSD)
Common Name
Heteranthin
Systematic Name
Methyl-3-oxo-12'-apo-ε,psi-caroten-12'-oate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Heteranthin
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)
NRLVZXUWVPUCFW-WFCITUQGSA-N
InChi (Click to copy)
InChI=1S/C26H34O3/c1-19(11-8-9-14-21(3)25(28)29-7)12-10-13-20(2)15-16-24-22(4)17-23(27)18-26(24,5)6/h8-17,24H,18H2,1-7H3/b9-8+,12-10+,16-15+,19-11+,20-13+,21-14+/t24-/m1/s1
SMILES (Click to copy)
C1(C)(C)[C@H](/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C(=O)OC)C(C)=CC(=O)C1
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Argythamnia heterantha
(#3018710)
Magnoliopsida
(#3398)
C-26 and C-30 apocarotenoids from seeds of Ditaxis heterantha with antioxidant activity and protection against DNA oxidative damage.,
J Nat Prod, 2006
J Nat Prod, 2006
Pubmed ID:
16933864
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
1
Aromatic Rings
Rotatable Bonds
8
Van der Waals Molecular Volume
448.61
Topological Polar Surface Area
43.37
Hydrogen Bond Donors
Hydrogen Bond Acceptors
3
logP
6.23
Molar Refractivity
121.36
Admin
Created at
17th Nov 2021
Updated at
8th Oct 2024