1-Isothiocyanato-4-cadinene; (1β,6β,7β,10α)-form
AlkaPlorer ID: AK303072
Synonym: 1-Isothiocyanato-4-muurolene, 4-Muurolene-1-isothiocyanate
IUPAC Name: 8a-isothiocyanato-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
Structure
SMILES: CC1=CC2C(C(C)C)CCC(C)C2(N=C=S)CC1
InChI: InChI=1S/C16H25NS/c1-11(2)14-6-5-13(4)16(17-10-18)8-7-12(3)9-15(14)16/h9,11,13-15H,5-8H2,1-4H3
InChIKey: IBYJYYWXLNYMJG-UHFFFAOYSA-N
Reference
New Isothiocyanate Sesquiterpenes From the Australian Marine Sponge Acanthella pulcherrima
PubChem CID: 14193628
CAS: 117605-65-9
LOTUS: LTS0041619
COCONUT: CNP0148406.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella pulcherrima | Acanthella | 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 |
|---|