(E)-3-hydroxy-N-{1-hydroxy-6-[(E)-[hydroxy(2-hydroxy-3-methoxyphenyl)methylidene]amino]hexan-2-yl}benzene-1-carboximidic acid
AlkaPlorer ID: AK159928
Synonym: None
IUPAC Name: 2-hydroxy-N-[(5S)-6-hydroxy-5-[(3-hydroxybenzoyl)amino]hexyl]-3-methoxybenzamide
Structure
SMILES: COC1=CC=CC(C(O)=NCCCC[C@@H](CO)N=C(O)C2=CC=CC(O)=C2)=C1O
InChI: InChI=1S/C21H26N2O6/c1-29-18-10-5-9-17(19(18)26)21(28)22-11-3-2-7-15(13-24)23-20(27)14-6-4-8-16(25)12-14/h4-6,8-10,12,15,24-26H,2-3,7,11,13H2,1H3,(H,22,28)(H,23,27)/t15-/m0/s1
InChIKey: BTGNPOJMAWDQPI-HNNXBMFYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pyxidicoccus fallax | Pyxidicoccus | Myxococcaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 402.44700000000006
TPSA？: 135.1
MolLogP？: 2.9470000000000014
Number of H-Donors: 5
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 | 41.0 | % | 10.1021/np500909b |
| Homo sapiens | HeLa | IC50 | 424000.0 | nM | 10.1021/np500909b |
| Homo sapiens | K562 | IC50 | 53500.0 | nM | 10.1021/np500909b |
| None | Unchecked | Activity | nan | None | 10.1021/np500909b |