133813-24-8
AlkaPlorer ID: AK031285
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,8aR)-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-CAOSSQGBSA-N
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 |
|---|