2-(3,5-dibromo-1,6-dihydroxy-4-oxocyclohex-2-en-1-yl)acetonitrile
AlkaPlorer ID: AK558214
Synonym: None
IUPAC Name: 2-[(1S,5R,6S)-3,5-dibromo-1,6-dihydroxy-4-oxocyclohex-2-en-1-yl]acetonitrile
Structure
SMILES: N#CC[C@]1(O)C=C(Br)C(=O)[C@H](Br)[C@H]1O
InChI: InChI=1S/C8H7Br2NO3/c9-4-3-8(14,1-2-11)7(13)5(10)6(4)12/h3,5,7,13-14H,1H2/t5-,7+,8-/m0/s1
InChIKey: WHLPZHXHZAAZBP-ARDNSNSESA-N
Reference
Two Epimeric Dibromo Nitriles From the Australian Sponge Aplysina laevis
PubChem CID: 163187045
LOTUS: LTS0170553
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudoceratina durissima | Pseudoceratina | Pseudoceratinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 324.956
TPSA？: 81.32
MolLogP？: 0.6170799999999999
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|