(1S,2S,4aR,8R,8aS)-1-isocyano-4a,8-dimethyl-2-(prop-1-en-2-yl)-octahydro-1H-naphthalene
AlkaPlorer ID: AK386563
Synonym: None
IUPAC Name: (3S,4S,4aR,5S,8aR)-4-isocyano-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
Structure
SMILES: [C-]#[N+][C@@H]1[C@@H]2[C@@H](C)CCC[C@]2(C)CC[C@H]1C(=C)C
InChI: InChI=1S/C16H25N/c1-11(2)13-8-10-16(4)9-6-7-12(3)14(16)15(13)17-5/h12-15H,1,6-10H2,2-4H3/t12-,13-,14-,15-,16+/m0/s1
InChIKey: GENYSLRBRFXSJH-UVPYHEFZSA-N
Reference
Acanthellin-1, an unique isonitrile sesquiterpene from the sponge Acanthella acuta
PubChem CID: 163186210
LOTUS: LTS0099276
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？: 4.7028900000000045
Number of H-Donors: 0
Number of H-Acceptors: 0
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|