Manumycin D
| Internal ID | 579a2a50-22a1-454a-a9f5-51feb791fb9c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (2E,4E)-N-[(3S,4R)-3,4-dihydroxy-3-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-6-oxocyclohexen-1-yl]-2,4,6-trimethyldeca-2,4-dienamide |
| SMILES (Canonical) | CCCCC(C)C=C(C)C=C(C)C(=O)NC1=CC(C(CC1=O)O)(C=CC=CC=CC(=O)NC2=C(CCC2=O)O)O |
| SMILES (Isomeric) | CCCCC(C)/C=C(\C)/C=C(\C)/C(=O)NC1=C[C@]([C@@H](CC1=O)O)(/C=C/C=C/C=C/C(=O)NC2=C(CCC2=O)O)O |
| InChI | InChI=1S/C31H40N2O7/c1-5-6-11-20(2)16-21(3)17-22(4)30(39)32-23-19-31(40,27(37)18-26(23)36)15-10-8-7-9-12-28(38)33-29-24(34)13-14-25(29)35/h7-10,12,15-17,19-20,27,34,37,40H,5-6,11,13-14,18H2,1-4H3,(H,32,39)(H,33,38)/b8-7+,12-9+,15-10+,21-16+,22-17+/t20?,27-,31+/m1/s1 |
| InChI Key | VUBKFRUSHLYSFD-JLUMCTDQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H40N2O7 |
| Molecular Weight | 552.70 g/mol |
| Exact Mass | 552.28355162 g/mol |
| Topological Polar Surface Area (TPSA) | 153.00 Ų |
| XlogP | 3.60 |
| SCHEMBL13604686 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.46% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.70% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.55% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.45% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.28% | 90.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.70% | 90.71% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.72% | 98.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.85% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.58% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.39% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.02% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.05% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.18% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.76% | 97.25% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.73% | 96.90% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.54% | 94.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.36% | 99.23% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.12% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.43% | 89.34% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.02% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.47% | 91.24% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.46% | 94.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 80.39% | 97.06% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 58017777 |
| LOTUS | LTS0214371 |
| wikiData | Q105293169 |