LIPID MAPS

Structure Database (LMSD)

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Common Name

Cacomalide C

Systematic Name

Synonyms

LM ID

LMPR0105020009

Formula

C₂₅H₃₆O₅

Exact Mass

Calculate m/z

416.256276

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

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

Pubmed ID: 40114369

String Representations

InChiKey (Click to copy)

GIRSFGZJCQRVIO-RKQJEULUSA-N

InChi (Click to copy)

InChI=1S/C25H36O5/c1-17(2)8-5-9-18(3)10-6-11-19(4)12-7-13-20-14-15-22(29-24(20)27)21-16-23(26)30-25(21)28/h8,10,12,14,16,22,24-25,27-28H,5-7,9,11,13,15H2,1-4H3/b18-10+,19-12+/t22-,24+,25+/m0/s1

SMILES (Click to copy)

C(=C(/C)\CC/C=C(\C)/C)/CC/C(/C)=C/CCC1[C@@H](O[C@@H](CC=1)C1[C@H](O)OC(=O)C=1)O

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 2

Aromatic Rings

Rotatable Bonds 10

Van der Waals Molecular Volume 444.45

Topological Polar Surface Area 80.13

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 5

logP 5.88

Molar Refractivity 119.94

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Created at

2nd May 2025

Updated at