(3S,4aR,5S,8aR)-3-isothiocyanato-3,8-dimethyl-5-propan-2-yl-2,4,4a,5,6,8a-hexahydro-1H-naphthalene
AlkaPlorer ID: AK157676
Synonym: None
IUPAC Name: (3S,4aR,5S,8aR)-3-isothiocyanato-3,8-dimethyl-5-propan-2-yl-2,4,4a,5,6,8a-hexahydro-1H-naphthalene
Structure
SMILES: CC1=CC[C@@H](C(C)C)[C@H]2C[C@@](C)(N=C=S)CC[C@@H]12
InChI: InChI=1S/C16H25NS/c1-11(2)13-6-5-12(3)14-7-8-16(4,17-10-18)9-15(13)14/h5,11,13-15H,6-9H2,1-4H3/t13-,14-,15+,16-/m0/s1
InChIKey: XNVKKJYNALOEAY-JONQDZQNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella cavernosa | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 263.44999999999993
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 |
|---|---|---|---|---|---|
| Nippostrongylus brasiliensis | Nippostrongylus brasiliensis | Activity | None | None | 10.1021/np50073a002 |