91466-63-6
AlkaPlorer ID: AK057243
Synonym: '', 'Acanthene B'
IUPAC Name: (3R,4S,4aS,8aR)-4-isothiocyanato-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
Structure
SMILES: C=C1CCC[C@]2(C)CC[C@H](C(C)C)[C@H](N=C=S)[C@@H]12
InChI: InChI=1S/C16H25NS/c1-11(2)13-7-9-16(4)8-5-6-12(3)14(16)15(13)17-10-18/h11,13-15H,3,5-9H2,1-2,4H3/t13-,14-,15+,16-/m1/s1
InChIKey: TXWOJUKUJKANMH-LVQVYYBASA-N
Reference
New nitrogenous sesquiterpenes from the marine sponge Axinella cannabina
PubChem CID: 162881561
LOTUS: LTS0077305
SuperNatural Ⅲ: SN0363007-05
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 |
|---|