10-Isocyano-6-guaiene; (1β,4α,5β,10ξ)-form, 10-Isothiocyanate
AlkaPlorer ID: AK302857
Synonym: None
IUPAC Name: 4-isothiocyanato-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydro-1H-azulene
Structure
SMILES: CC(C)C1=CC2C(C)CCC2C(C)(N=C=S)CC1
InChI: InChI=1S/C16H25NS/c1-11(2)13-7-8-16(4,17-10-18)15-6-5-12(3)14(15)9-13/h9,11-12,14-15H,5-8H2,1-4H3
InChIKey: BJUXAFSYNWNLTL-UHFFFAOYSA-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 |
|---|