134779-33-2
AlkaPlorer ID: AK044342
Synonym: None
IUPAC Name: (1R,4R,4aS,6S)-6-isothiocyanato-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,7-hexahydro-1H-naphthalene
Structure
SMILES: CC(C)[C@H]1CC[C@@H](C)C2=CC[C@](C)(N=C=S)C[C@H]21
InChI: InChI=1S/C16H25NS/c1-11(2)13-6-5-12(3)14-7-8-16(4,17-10-18)9-15(13)14/h7,11-13,15H,5-6,8-9H2,1-4H3/t12-,13-,15+,16+/m1/s1
InChIKey: KDOKXEAZIZAWIZ-VDERGJSUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Halichondria panicea | Halichondria | Halichondriidae | Suberitida | 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 |
|---|