Myxochelin A
AlkaPlorer ID: AK003391
Synonym: None
IUPAC Name: N-[(5S)-5-[(2,3-dihydroxybenzoyl)amino]-6-hydroxyhexyl]-2,3-dihydroxybenzamide
Structure
SMILES: OC[C@H](CCCCN=C(O)C1=CC=CC(O)=C1O)N=C(O)C1=CC=CC(O)=C1O
InChI: InChI=1S/C20H24N2O7/c23-11-12(22-20(29)14-7-4-9-16(25)18(14)27)5-1-2-10-21-19(28)13-6-3-8-15(24)17(13)26/h3-4,6-9,12,23-27H,1-2,5,10-11H2,(H,21,28)(H,22,29)/t12-/m0/s1
InChIKey: WNBVGSNESTZACV-LBPRGKRZSA-N
Reference
PubChem CID: 16093504
CAS: 120243-02-9
LOTUS: LTS0035913
SuperNatural Ⅲ: SN0414674-01
NPASS: NPC79430
{NPAtlas: NPA002219
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Myxococcus xanthus | Myxococcus | Myxococcaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 404.41900000000015
TPSA？: 166.33
MolLogP？: 2.349600000000001
Number of H-Donors: 7
Number of H-Acceptors: 7
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/acs.jnatprod.9b00403 |
| Mus musculus | Matrix metalloproteinase-2 | Inhibition | 35.0 | % | 10.1016/j.bmc.2009.02.040 |
| Mus musculus | Matrix metalloproteinase 9 | Inhibition | 39.0 | % | 10.1016/j.bmc.2009.02.040 |
| None | NON-PROTEIN TARGET | IC50 | 590.0 | nM | 10.1016/j.bmc.2009.02.040 |
| None | NON-PROTEIN TARGET | IC50 | 7500.0 | nM | 10.1016/j.bmc.2009.02.040 |
| None | NON-PROTEIN TARGET | Inhibition | 20.0 | % | 10.1016/j.bmc.2009.02.040 |
| None | Unchecked | Inhibition | nan | % | 10.1016/j.bmc.2009.02.040 |