Isokalihinol F; 10-Isothiocyanate, 10-epimer
AlkaPlorer ID: AK302917
Synonym: 10-epi-Isokalihinol H, 10-Epiisokalihinol H
IUPAC Name: 2-isocyano-8-[5-(2-isocyanopropan-2-yl)-2-methyloxolan-2-yl]-5-isothiocyanato-2,5-dimethyl-1,3,4,4a,6,7,8,8a-octahydronaphthalen-1-ol
Structure
SMILES: [C-]#[N+]C(C)(C)C1CCC(C)(C2CCC(C)(N=C=S)C3CCC(C)([N+]#[C-])C(O)C32)O1
InChI: InChI=1S/C23H33N3O2S/c1-20(2,24-6)17-10-13-23(5,28-17)16-9-11-21(3,26-14-29)15-8-12-22(4,25-7)19(27)18(15)16/h15-19,27H,8-13H2,1-5H3
InChIKey: RQAPIVNLQPXVCU-UHFFFAOYSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella cavernosa | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 415.6030000000002
TPSA？: 50.540000000000006
MolLogP？: 4.958580000000006
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|