(E)-N-{1-hydroxy-6-[(E)-[hydroxy(2-hydroxy-3-methoxyphenyl)methylidene]amino]hexan-2-yl}-3-methoxybenzene-1-carboximidic acid
AlkaPlorer ID: AK159931
Synonym: None
IUPAC Name: 2-hydroxy-N-[(5S)-6-hydroxy-5-[(3-methoxybenzoyl)amino]hexyl]-3-methoxybenzamide
Structure
SMILES: COC1=CC=CC(C(O)=N[C@H](CO)CCCCN=C(O)C2=CC=CC(OC)=C2O)=C1
InChI: InChI=1S/C22H28N2O6/c1-29-17-9-5-7-15(13-17)21(27)24-16(14-25)8-3-4-12-23-22(28)18-10-6-11-19(30-2)20(18)26/h5-7,9-11,13,16,25-26H,3-4,8,12,14H2,1-2H3,(H,23,28)(H,24,27)/t16-/m0/s1
InChIKey: ICLRIKGYADWERB-INIZCTEOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pyxidicoccus fallax | Pyxidicoccus | Myxococcaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 416.4740000000001
TPSA？: 124.1
MolLogP？: 3.250000000000001
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Arachidonate 5-lipoxygenase | IC50 | 10000.0 | nM | 10.1021/np500909b |
| Homo sapiens | Arachidonate 5-lipoxygenase | Inhibition | 33.0 | % | 10.1021/np500909b |
| Homo sapiens | HeLa | IC50 | 500000.0 | nM | 10.1021/np500909b |
| Homo sapiens | K562 | IC50 | 500000.0 | nM | 10.1021/np500909b |
| Homo sapiens | Prostaglandin E synthase | Inhibition | nan | % | 10.1021/np500909b |
| None | Unchecked | Activity | nan | None | 10.1021/np500909b |