Epipolasin B
AlkaPlorer ID: AK039601
Synonym: '', '97950-06-6', 'Axisothiocyanate 2', '10alpha-Isothiocyanatoalloaromadendrane'
IUPAC Name: (1aR,4R,4aS,7R,7aR,7bR)-4-isothiocyanato-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
Structure
SMILES: C[C@@H]1CC[C@H]2[C@H]1[C@@H]1[C@@H](CC[C@@]2(C)N=C=S)C1(C)C
InChI: InChI=1S/C16H25NS/c1-10-5-6-11-13(10)14-12(15(14,2)3)7-8-16(11,4)17-9-18/h10-14H,5-8H2,1-4H3/t10-,11+,12-,13+,14+,16-/m1/s1
InChIKey: ARPIGBFJJLTHFU-STTCQZRRSA-N
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？: 4.5762000000000045
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|