1,6-dimethyl-4-(propan-2-yl)-N-sulfanylidene-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-amine
AlkaPlorer ID: AK136292
Synonym: None
IUPAC Name: (1S,4S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-4-thionitroso-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
Structure
SMILES: CC1=C[C@H]2[C@@H](CC1)[C@@](C)(N=S)CC[C@H]2C(C)C
InChI: InChI=1S/C15H25NS/c1-10(2)12-7-8-15(4,16-17)14-6-5-11(3)9-13(12)14/h9-10,12-14H,5-8H2,1-4H3/t12-,13+,14+,15-/m0/s1
InChIKey: NBLCYHOPKZIVLV-YJNKXOJESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella cavernosa | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 251.439
TPSA？: 12.36
MolLogP？: 4.514100000000004
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | GI50 | 33400.0 | nM | 10.1021/np070593s |
| Nippostrongylus brasiliensis | Nippostrongylus brasiliensis | Activity | nan | None | 10.1021/np50073a002 |