(E)-N-{6-[(E)-[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino]-1-hydroxyhexan-2-yl}-3-hydroxybenzene-1-carboximidic acid
AlkaPlorer ID: AK159938
Synonym: None
IUPAC Name: 2,3-dihydroxy-N-[(5S)-6-hydroxy-5-[(3-hydroxybenzoyl)amino]hexyl]benzamide
Structure
SMILES: O=C(N[C@H](CO)CCCCNC(=O)C1=C(O)C(O)=CC=C1)C1=CC(O)=CC=C1
InChI: InChI=1S/C20H24N2O6/c23-12-14(22-19(27)13-5-3-7-15(24)11-13)6-1-2-10-21-20(28)16-8-4-9-17(25)18(16)26/h3-5,7-9,11,14,23-26H,1-2,6,10,12H2,(H,21,28)(H,22,27)/t14-/m0/s1
InChIKey: OUQJUFKBCBSNPA-AWEZNQCLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pyxidicoccus fallax | Pyxidicoccus | Myxococcaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 388.4200000000001
TPSA？: 139.12
MolLogP？: 1.4943999999999986
Number of H-Donors: 6
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 | 1900.0 | nM | 10.1021/np500909b |
| Homo sapiens | Arachidonate 5-lipoxygenase | Inhibition | nan | % | 10.1021/np500909b |
| Homo sapiens | HeLa | IC50 | 305200.0 | nM | 10.1021/np500909b |
| Homo sapiens | K562 | IC50 | 3900.0 | nM | 10.1021/np500909b |
| Homo sapiens | Prostaglandin E synthase | Inhibition | nan | % | 10.1021/np500909b |
| None | Unchecked | Activity | nan | None | 10.1021/np500909b |