Aromadendrane 1-isonitrile; (1β,4β,5α,6β,7β,10β)-form
AlkaPlorer ID: AK289303
Synonym: None
IUPAC Name: 4a-isocyano-1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
Structure
SMILES: [C-]#[N+]C12CCC(C)C1C1C(CCC2C)C1(C)C
InChI: InChI=1S/C16H25N/c1-10-8-9-16(17-5)11(2)6-7-12-14(13(10)16)15(12,3)4/h10-14H,6-9H2,1-4H3
InChIKey: XXDBKHLLPYCINS-UHFFFAOYSA-N
Reference
CAS: 112757-34-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella acuta | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 231.38299999999995
TPSA？: 4.36
MolLogP？: 4.392690000000004
Number of H-Donors: 0
Number of H-Acceptors: 0
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|