Structure Database (LMSD)
Common Name
Tedaniaxanthin
Systematic Name
(3R)-7,8-Didehydro-β,chi-caroten-3-ol
Synonyms
- Allopurpurin
3D model of Tedaniaxanthin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Clathria prolifera
(#1190602)
Demospongiae
(#6042)
Carotenoids of the marine sponge Microciona prolifera,
Comparative Biochemistry and Physiology, 1980
Comparative Biochemistry and Physiology, 1980
String Representations
InChiKey (Click to copy)
SIBBLZCWSMCOKD-YMGIVJASSA-N
InChi (Click to copy)
InChI=1S/C40H50O/c1-29(17-13-19-31(3)21-24-37-25-23-33(5)35(7)36(37)8)15-11-12-16-30(2)18-14-20-32(4)22-26-39-34(6)27-38(41)28-40(39,9)10/h11-21,23-25,38,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,24-21+,29-15+,30-16+,31-19+,32-20+/t38-/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=CC=C(C)C(C)=C2C)=C(C)C[C@H]1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
2
Aromatic Rings
1
Rotatable Bonds
8
Van der Waals Molecular Volume
636.77
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
10.87
Molar Refractivity
182.14
Admin
Created at
17th Nov 2021
Updated at
10th Jan 2022