1-Isothiocyanatoaromadendrane
AlkaPlorer ID: AK089658
Synonym: ''
IUPAC Name: (1aS,4R,4aR,7S,7aR,7bS)-4a-isothiocyanato-1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
Structure
SMILES: C[C@@H]1CC[C@H]2[C@@H]([C@H]3[C@@H](C)CC[C@]31N=C=S)C2(C)C
InChI: InChI=1S/C16H25NS/c1-10-7-8-16(17-9-18)11(2)5-6-12-14(13(10)16)15(12,3)4/h10-14H,5-8H2,1-4H3/t10-,11+,12-,13+,14-,16+/m0/s1
InChIKey: JLMIMTUDKQKKJO-OSKMXNKJSA-N
Reference
New Isothiocyanate Sesquiterpenes From the Australian Marine Sponge Acanthella pulcherrima
PubChem CID: 13946320
LOTUS: LTS0241589
SuperNatural Ⅲ: SN0168643-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella pulcherrima | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 263.44999999999993
TPSA？: 12.36
MolLogP？: 4.5762000000000045
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|