91466-60-3
AlkaPlorer ID: AK096855
Synonym: None
IUPAC Name: (3S,4S,4aS,5R,8aR)-4-isothiocyanato-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
Structure
SMILES: C=C(C)[C@@H]1CC[C@@]2(C)CCC[C@@H](C)[C@@H]2[C@H]1N=C=S
InChI: InChI=1S/C16H25NS/c1-11(2)13-7-9-16(4)8-5-6-12(3)14(16)15(13)17-10-18/h12-15H,1,5-9H2,2-4H3/t12-,13+,14-,15+,16-/m1/s1
InChIKey: MNWVISWOBJYSBC-DGADGQDISA-N
Reference
New nitrogenous sesquiterpenes from the marine sponge Axinella cannabina
PubChem CID: 23425179
LOTUS: LTS0155286
SuperNatural Ⅲ: SN0230658-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Axinella cannabina | Axinella | 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 |
|---|