Structure Database (LMSD)
Common Name
Cacomalide A
Systematic Name
Synonyms
3D model of Cacomalide A
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)
YPRXENYXVVYPKD-SZZSYGAFSA-N
InChi (Click to copy)
InChI=1S/C25H34O4/c1-16(10-12-20-17(2)8-6-14-25(20,3)4)7-5-9-18-11-13-21-19-15-22(26)28-24(19)29-23(18)27-21/h7,11,15,21,23-24H,5-6,8-10,12-14H2,1-4H3/b16-7+/t21-,23-,24+/m0/s1
SMILES (Click to copy)
C1CCC(C)(C)C(CC/C(/C)=C/CCC2[C@]3([H])O[C@@]4([H])OC(=O)C=C4[C@@]([H])(O3)CC=2)=C1C
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
4
Aromatic Rings
Rotatable Bonds
6
Van der Waals Molecular Volume
413.58
Topological Polar Surface Area
50.97
Hydrogen Bond Donors
Hydrogen Bond Acceptors
4
logP
6.76
Molar Refractivity
114.50
Admin
Created at
2nd May 2025
Updated at
2nd May 2025