Myxopyronin A
AlkaPlorer ID: AK038976
Synonym: None
IUPAC Name: methyl N-[(E,5R)-5-[5-[(2E,4E)-2,5-dimethylocta-2,4-dienoyl]-4-hydroxy-6-oxopyran-2-yl]hex-1-enyl]carbamate
Structure
SMILES: CCC/C(C)=C/C=C(\C)C(=O)C1=C(O)C=C([C@H](C)CC/C=C/NC(=O)OC)OC1=O
InChI: InChI=1S/C23H31NO6/c1-6-9-15(2)11-12-17(4)21(26)20-18(25)14-19(30-22(20)27)16(3)10-7-8-13-24-23(28)29-5/h8,11-14,16,25H,6-7,9-10H2,1-5H3,(H,24,28)/b13-8+,15-11+,17-12+/t16-/m1/s1
InChIKey: UQFNCSLGZUJVQP-JNZIYJEQSA-N
Reference
PubChem CID: 135455925
CAS: 88192-98-7
LOTUS: LTS0232678
SuperNatural Ⅲ: SN0377205-03
{NPAtlas: NPA010061
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Myxococcus fulvus | Myxococcus | Myxococcaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 417.5020000000002
TPSA？: 105.84
MolLogP？: 4.974200000000004
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 1000.0 | nM | 10.1007/s00044-011-9567-7 |
| None | Unchecked | IC50 | 1000.0 | nM | 10.1016/j.ejmech.2011.12.029 |
| None | Unchecked | IC50 | 24000.0 | nM | 10.1016/j.bmcl.2020.127146 |