Abenquine C
AlkaPlorer ID: AK041294
Synonym: None
IUPAC Name: (2S)-2-[(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]-3-methylbutanoic acid
Structure
SMILES: CC(O)=NC1=CC(=O)C(N[C@H](C(=O)O)C(C)C)=CC1=O
InChI: InChI=1S/C13H16N2O5/c1-6(2)12(13(19)20)15-9-5-10(17)8(4-11(9)18)14-7(3)16/h4-6,12,15H,1-3H3,(H,14,16)(H,19,20)/t12-/m0/s1
InChIKey: WXCJZGWBYDDUCO-LBPRGKRZSA-N
Reference
Abenquines A–D: aminoquinone derivatives produced by Streptomyces sp. strain DB634
PubChem CID: 56834465
LOTUS: LTS0027423
{NPAtlas: NPA018918
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 280.28000000000003
TPSA？: 116.06
MolLogP？: 0.5811999999999995
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 518A2 | EC50 | 7100.0 | nM | 10.1016/j.bmcl.2017.01.079 |
| Homo sapiens | A2780 | EC50 | 5700.0 | nM | 10.1016/j.bmcl.2017.01.079 |
| Homo sapiens | A549 | EC50 | 6500.0 | nM | 10.1016/j.bmcl.2017.01.079 |
| Homo sapiens | FaDu | EC50 | 11700.0 | nM | 10.1016/j.bmcl.2017.01.079 |
| Homo sapiens | HT-29 | EC50 | 12700.0 | nM | 10.1016/j.bmcl.2017.01.079 |
| Homo sapiens | MCF7 | EC50 | 7300.0 | nM | 10.1016/j.bmcl.2017.01.079 |
| Mus musculus | NIH3T3 | EC50 | 6600.0 | nM | 10.1016/j.bmcl.2017.01.079 |
| None | Unchecked | Ratio EC50 | 0.5 | None | 10.1016/j.bmcl.2017.01.079 |
| None | Unchecked | Ratio EC50 | 0.9 | None | 10.1016/j.bmcl.2017.01.079 |
| None | Unchecked | Ratio EC50 | 1.0 | None | 10.1016/j.bmcl.2017.01.079 |
| None | Unchecked | Ratio EC50 | 1.1 | None | 10.1016/j.bmcl.2017.01.079 |