Structure Database (LMSD)
Common Name
Physalien
Systematic Name
(3R,3'R)-3,3'-Dihexadecanoyloxy-β,β-carotene
Synonyms
- Zeaxanthin dipalmitate
3D model of Physalien
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)
XACHQDDXHDTRLX-XLVVAOPESA-N
InChi (Click to copy)
InChI=1S/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-54,65-66H,13-38,49-50,55-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+/t65-,66-/m1/s1
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)C[C@@H](OC(=O)CCCCCCCCCCCCCCC)CC2(C)C)=C(C)C[C@H]1OC(CCCCCCCCCCCCCCC)=O
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Lycium barbarum
(#112863)
Magnoliopsida
(#3398)
Goji (Lycium barbarum and L. chinense): Phytochemistry, pharmacology and safety in the perspective of traditional uses and recent popularity.,
Planta Med, 2010
Planta Med, 2010
Pubmed ID:
19844860
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
76
Rings
2
Aromatic Rings
Rotatable Bonds
42
Van der Waals Molecular Volume
1230.28
Topological Polar Surface Area
52.60
Hydrogen Bond Donors
Hydrogen Bond Acceptors
4
logP
23.18
Molar Refractivity
333.57
Admin
Created at
17th Nov 2021
Updated at
2nd Dec 2021