Isokalihinol B
AlkaPlorer ID: AK302915
Synonym: None
IUPAC Name: 8-[5-(2-chloropropan-2-yl)-2-methyloxolan-2-yl]-2,5-diisocyano-2,5-dimethyl-1,3,4,4a,6,7,8,8a-octahydronaphthalen-1-ol
Structure
SMILES: [C-]#[N+]C1(C)CCC2C(C1O)C(C1(C)CCC(C(C)(C)Cl)O1)CCC2(C)[N+]#[C-]
InChI: InChI=1S/C22H33ClN2O2/c1-19(2,23)16-10-13-22(5,27-16)15-9-11-20(3,24-6)14-8-12-21(4,25-7)18(26)17(14)15/h14-18,26H,8-13H2,1-5H3
InChIKey: MBCWSLOLPOHUPJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella cavernosa | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Acanthella | Melastomataceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 392.9710000000001
TPSA？: 38.18
MolLogP？: 5.094580000000006
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|