Structure Database (LMSD)
Common Name
Cacomalide F
Systematic Name
Synonyms
3D model of Cacomalide F
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)
GQVUPYPLASXTJT-UBGBPFCNSA-N
InChi (Click to copy)
InChI=1S/C25H38O5/c1-17(7-9-22-18(2)6-5-11-25(22,3)4)12-21(28)13-19(15-26)8-10-23-20(16-27)14-24(29)30-23/h8,12,14,21,23,26-28H,5-7,9-11,13,15-16H2,1-4H3/b17-12+,19-8-/t21-,23-/m1/s1
SMILES (Click to copy)
C1CCC(C)(C)C(CC/C(/C)=C/[C@@H](O)C/C(/CO)=C/C[C@H]2OC(=O)C=C2CO)=C1C
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
2
Aromatic Rings
Rotatable Bonds
10
Van der Waals Molecular Volume
447.09
Topological Polar Surface Area
89.06
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
5.29
Molar Refractivity
120.79
Admin
Created at
2nd May 2025
Updated at
2nd May 2025