Structure Database (LMSD)
Common Name
Cacomalide G
Systematic Name
Synonyms
3D model of Cacomalide G
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
Level 4 Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unclassified Cacospongia
(#2606258)
Demospongiae
(#6042)
Cacomalides A-G, Manoalide-Related Sesterterpenes With Anti-Inflammatory Activities From the Marine Sponge Cacosponges sp.,
Chem Biodivers, 2025
Chem Biodivers, 2025
Pubmed ID:
40114369
String Representations
InChiKey (Click to copy)
XYSUNNIWINLBIX-OJMNJVGRSA-N
InChi (Click to copy)
InChI=1S/C25H40O4/c1-18(10-12-22-19(2)8-6-14-25(22,3)4)7-5-9-20(16-26)11-13-23-21(17-27)15-24(28)29-23/h7,11,21,23,26-27H,5-6,8-10,12-17H2,1-4H3/b18-7+,20-11+/t21-,23+/m1/s1
SMILES (Click to copy)
C1CCC(C)(C)C(CC/C(/C)=C/CC/C(/CO)=C\C[C@@H]2OC(=O)C[C@@H]2CO)=C1C
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
2
Aromatic Rings
Rotatable Bonds
10
Van der Waals Molecular Volume
440.94
Topological Polar Surface Area
68.83
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
6.11
Molar Refractivity
118.91
Admin
Created at
2nd May 2025
Updated at
2nd May 2025