10-Isothiocyanato-6-isodaucene; (1β,4α,5α,10β)-form
AlkaPlorer ID: AK303089
Synonym: None
IUPAC Name: 8-isothiocyanato-5,8a-dimethyl-3-propan-2-yl-2,3,3a,6,7,8-hexahydro-1H-azulene
Structure
SMILES: CC1=CC2C(C(C)C)CCC2(C)C(N=C=S)CC1
InChI: InChI=1S/C16H25NS/c1-11(2)13-7-8-16(4)14(13)9-12(3)5-6-15(16)17-10-18/h9,11,13-15H,5-8H2,1-4H3
InChIKey: BNKMTIDTZNEDLS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Axinyssa | 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 |
|---|