6-Isodaucene 14-isonitrile
AlkaPlorer ID: AK302873
Synonym: None
IUPAC Name: 5-(isocyanomethyl)-8a-methyl-3-propan-2-yl-2,3,3a,6,7,8-hexahydro-1H-azulene
Structure
SMILES: [C-]#[N+]CC1=CC2C(C(C)C)CCC2(C)CCC1
InChI: InChI=1S/C16H25N/c1-12(2)14-7-9-16(3)8-5-6-13(11-17-4)10-15(14)16/h10,12,14-15H,5-9,11H2,1-3H3
InChIKey: LVDCXPXWXBWIPP-UHFFFAOYSA-N
Reference
CAS: 112767-02-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella acuta | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 231.3829999999999
TPSA？: 4.36
MolLogP？: 4.704490000000004
Number of H-Donors: 0
Number of H-Acceptors: 0
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|