Epipolasin A; (-)-form
AlkaPlorer ID: AK297544
Synonym: None
IUPAC Name: 7-isothiocyanato-1,1,3a,7-tetramethyl-1a,2,3,4,5,6,7a,7b-octahydrocyclopropa[a]naphthalene
Structure
SMILES: CC12CCCC(C)(N=C=S)C1C1C(CC2)C1(C)C
InChI: InChI=1S/C16H25NS/c1-14(2)11-6-9-15(3)7-5-8-16(4,17-10-18)13(15)12(11)14/h11-13H,5-9H2,1-4H3
InChIKey: IHXNLQLOLAMIBI-UHFFFAOYSA-N
Reference
Terpene Metabolites from the Tropical Marine Sponge Axinyssa sp. nov.
PubChem CID: 14193623
CAS: 83631-19-0
LOTUS: LTS0273624
COCONUT: CNP0231668.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Axinyssa | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Acanthella pulcherrima | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 263.45
TPSA？: 12.36
MolLogP？: 4.720300000000004
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|