1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid; 3,5-Dichloro, amide
AlkaPlorer ID: AK014162
Synonym: Dichloroverongiaquinol
IUPAC Name: 2-(3,5-dichloro-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide
Structure
SMILES: N=C(O)CC1(O)C=C(Cl)C(=O)C(Cl)=C1
InChI: InChI=1S/C8H7Cl2NO3/c9-4-1-8(14,3-6(11)12)2-5(10)7(4)13/h1-2,14H,3H2,(H2,11,12)
InChIKey: JYWPCJDFYIJMEM-UHFFFAOYSA-N
Reference
PubChem CID: 14726963
LOTUS: LTS0056942
SuperNatural Ⅲ: SN0179053
NPASS: NPC82674
COCONUT: CNP0330754
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysina fistularis | Aplysina | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Aplysina cavernicola | Aplysina | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 236.054
TPSA？: 81.38
MolLogP？: 1.47097
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np200120d |
| Escherichia coli | Escherichia coli | IZ | 15.0 | mm | 10.1021/np200120d |
| Homo sapiens | HeLa | IC50 | 13000.0 | nM | 10.1021/np200120d |