Ansalactam B
| Internal ID | c3e87d49-93d0-4313-8c04-6fe3565c6cf2 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | (1R,4R,5R,6R,7S,8E,10R,11Z,13E,23S)-7,17-dihydroxy-6,8,10,12,14,18-hexamethyl-4-(2-methylpropyl)-2-azapentacyclo[18.3.1.01,5.07,23.016,21]tetracosa-8,11,13,16,18,20-hexaene-3,15,22,24-tetrone |
| SMILES (Canonical) | CC1C=C(C=C(C(=O)C2=C(C(=CC3=C2C(=O)C4C(C(C5C4(C3=O)NC(=O)C5CC(C)C)C)(C(=C1)C)O)C)O)C)C |
| SMILES (Isomeric) | C[C@@H]\1/C=C(\C=C(\C(=O)C2=C(C(=CC3=C2C(=O)[C@@H]4[C@@]([C@@H]([C@H]5[C@@]4(C3=O)NC(=O)[C@@H]5CC(C)C)C)(/C(=C1)/C)O)C)O)/C)/C |
| InChI | InChI=1S/C33H39NO6/c1-14(2)9-22-25-20(8)33(40)19(7)12-16(4)10-15(3)11-17(5)26(35)24-23-21(13-18(6)27(24)36)30(38)32(25,34-31(22)39)29(33)28(23)37/h10-14,16,20,22,25,29,36,40H,9H2,1-8H3,(H,34,39)/b15-10-,17-11+,19-12+/t16-,20-,22-,25-,29+,32-,33+/m1/s1 |
| InChI Key | XYLCRXBLUITNGR-MWVWETOZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C33H39NO6 |
| Molecular Weight | 545.70 g/mol |
| Exact Mass | 545.27773796 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.40% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.02% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.97% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.15% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.17% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.74% | 85.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.18% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.72% | 90.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.32% | 95.93% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 88.08% | 96.90% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.06% | 85.11% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 87.51% | 89.67% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.59% | 97.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.54% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.50% | 93.18% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.46% | 99.23% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.38% | 96.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.27% | 93.03% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.98% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.79% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.66% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.20% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.05% | 90.08% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.05% | 86.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 132560772 |
| LOTUS | LTS0060577 |
| wikiData | Q77369858 |