4-[5-(1-cyano-1-methylethyl)-2-methyloxolan-2-yl]-5-hydroxy-1,6-dimethyl-decahydronaphthalene-1,6-dicarbonitrile
AlkaPlorer ID: AK046289
Synonym: None
IUPAC Name: 4-[5-(2-cyanopropan-2-yl)-2-methyloxolan-2-yl]-5-hydroxy-1,6-dimethyl-2,3,4,4a,5,7,8,8a-octahydronaphthalene-1,6-dicarbonitrile
Structure
SMILES: CC(C)(C#N)C1CCC(C)(C2CCC(C)(C#N)C3CCC(C)(C#N)C(O)C32)O1
InChI: InChI=1S/C23H33N3O2/c1-20(2,12-24)17-8-11-23(5,28-17)16-7-9-21(3,13-25)15-6-10-22(4,14-26)19(27)18(15)16/h15-19,27H,6-11H2,1-5H3
InChIKey: BAFWSRLHCKLKHU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella cavernosa | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 383.5360000000001
TPSA？: 100.83
MolLogP？: 4.330740000000005
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|