Structure Database (LMSD)
Common Name
Cacomalide D
Systematic Name
Synonyms
3D model of Cacomalide D
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)
BEQVZSDASDPZFR-XJGFRBLYSA-N
InChi (Click to copy)
InChI=1S/C25H34O4/c1-19(2)9-5-10-20(3)11-6-12-21(4)13-7-14-22(18-26)15-8-16-23-17-24(27)29-25(23)28/h8-9,11,13,15-18,25,28H,5-7,10,12,14H2,1-4H3/b16-8+,20-11+,21-13+,22-15+/t25-/m1/s1
SMILES (Click to copy)
C(=C(/C)\CC/C=C(\C)/C)/CC/C(/C)=C/CC/C(/C=O)=C\C=C\C1[C@H](O)OC(=O)C=1
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
1
Aromatic Rings
Rotatable Bonds
12
Van der Waals Molecular Volume
442.74
Topological Polar Surface Area
65.67
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
5.96
Molar Refractivity
118.63
Admin
Created at
2nd May 2025
Updated at
2nd May 2025