Molecule

133813-24-8

AlkaPlorer ID: AK031287

Synonym: '', '957290-79-8', '(+)-Axinisothiocyanate K', '(1R,6S,7S,10S)-10-Isothiocyanato-4-amorphene', '10-Isothiocyanato-4-cadinene', '54537-22-3', '10-Isothiocyanato-4-amorphene', '286465-89-2', 'axinisothiocyanate L', 'Axinisothiocyanate K', '10-isothiocyanato-4-cadinene'

IUPAC Name: (1S,4R,4aR,8aS)-4-isothiocyanato-4,7-dimethyl-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

Structure

SMILES: CC1=C[C@H]2[C@@H](CC1)[C@](C)(N=C=S)CC[C@H]2C(C)C

InChI: InChI=1S/C16H25NS/c1-11(2)13-7-8-16(4,17-10-18)15-6-5-12(3)9-14(13)15/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15+,16+/m0/s1

InChIKey: SRYJMNDTUAKSRD-ZJIFWQFVSA-N

Reference

A Comparison of Sesquiterpene Scaffolds across Different Populations of the Tropical Marine Sponge <i>Acanthella cavernosa</i>

PubChem CID: 124433552

LOTUS: LTS0188327

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Acanthella cavernosa	Acanthella	Axinellidae	Axinellida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 263.45

TPSA？: 12.36

MolLogP？: 4.8864000000000045

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi