117605-65-9
AlkaPlorer ID: AK029219
Synonym: '', '1-Isothiocyanato-4-muurolene'
IUPAC Name: (1R,4S,4aR,8aS)-8a-isothiocyanato-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
Structure
SMILES: CC1=C[C@H]2[C@H](C(C)C)CC[C@@H](C)[C@@]2(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/t13-,14+,15+,16+/m1/s1
InChIKey: IBYJYYWXLNYMJG-UGUYLWEFSA-N
Reference
New Isothiocyanate Sesquiterpenes From the Australian Marine Sponge Acanthella pulcherrima
PubChem CID: 21573669
LOTUS: LTS0160817
SuperNatural Ⅲ: SN0141508-02
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 |
|---|