Cavernoisonitrile
AlkaPlorer ID: AK291837
Synonym: None
IUPAC Name: 2-(3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl)-2-isocyano-3,3-dimethyloxirane
Structure
SMILES: [C-]#[N+]C1(C2CCC3(C)CCCC(=C)C23)OC1(C)C
InChI: InChI=1S/C16H23NO/c1-11-7-6-9-15(4)10-8-12(13(11)15)16(17-5)14(2,3)18-16/h12-13H,1,6-10H2,2-4H3
InChIKey: MPWIQTYZJIBBND-UHFFFAOYSA-N
Reference
CAS: 145543-56-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Acanthella | Melastomataceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Phyllidia ocellata | Phyllidia | Phyllidiidae | Nudibranchia | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 245.366
TPSA？: 16.89
MolLogP？: 4.183390000000004
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|