Structure Database (LMSD)
Common Name
Gelliodenone
Systematic Name
3-Hydroxy-3',4'-didehydro-16'-methyl-17'-nor-β,psi-caroten-4,16'-dione
Synonyms
3D model of Gelliodenone
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)
QQQGKROJPRSZGA-XIJSTYEFSA-N
InChi (Click to copy)
InChI=1S/C40H50O3/c1-30(20-14-23-33(4)24-15-21-32(3)19-12-13-26-35(6)41)17-10-11-18-31(2)22-16-25-34(5)27-28-37-36(7)39(43)38(42)29-40(37,8)9/h10-28,38,42H,29H2,1-9H3/b11-10+,19-12+,20-14+,22-16+,24-15+,26-13+,28-27+,30-17+,31-18+,32-21+,33-23+,34-25+
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/C=C(\C)/C=C/C=C/C(=O)C)=C(C)C(=O)C1O
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Gelliodes callista
(#1336858)
Demospongiae
(#6042)
A new aldehydic carotenoid gelliodesxanthin from sea sponge Gelliodes callista,
Nippon Suisan Gakkaishi, 1987
Nippon Suisan Gakkaishi, 1987
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
1
Aromatic Rings
Rotatable Bonds
13
Van der Waals Molecular Volume
674.97
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
10.16
Molar Refractivity
186.07
Admin
Created at
17th Nov 2021
Updated at
30th Nov 2021