Antibiotic X 14547A
| Internal ID | fb339f2d-0d25-48d7-bd02-a99df7d09b55 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones > Aryl alkyl ketones |
| IUPAC Name | (2R)-2-[(5S,6R)-6-[(3E,5E)-6-[(1S,3aR,4S,5R,7aS)-1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid |
| SMILES (Canonical) | CCC1CCC2C1C=CC(C2C(=O)C3=CC=CN3)C=CC=C(CC)C4C(CCC(O4)C(C)C(=O)O)C |
| SMILES (Isomeric) | CC[C@H]1CC[C@@H]2[C@@H]1C=C[C@@H]([C@H]2C(=O)C3=CC=CN3)/C=C/C=C(\CC)/[C@H]4[C@H](CCC(O4)[C@@H](C)C(=O)O)C |
| InChI | InChI=1S/C31H43NO4/c1-5-21-13-16-25-24(21)15-14-23(28(25)29(33)26-11-8-18-32-26)10-7-9-22(6-2)30-19(3)12-17-27(36-30)20(4)31(34)35/h7-11,14-15,18-21,23-25,27-28,30,32H,5-6,12-13,16-17H2,1-4H3,(H,34,35)/b10-7+,22-9+/t19-,20+,21-,23-,24+,25+,27?,28+,30+/m0/s1 |
| InChI Key | BAIPOTOKPGDCHA-DFPVWRGBSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C31H43NO4 |
| Molecular Weight | 493.70 g/mol |
| Exact Mass | 493.31920885 g/mol |
| Topological Polar Surface Area (TPSA) | 79.40 Ų |
| XlogP | 7.40 |
| Antibiotic X 14547 |
| (2R)-2-[(5S,6R)-6-[(3E,5E)-6-[(1S,3aR,4S,5R,7aS)-1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid |
| 66513-28-8 |
| X 14547-A |
| INDANOMYCIN |
| Indamycin |
| X 14547A |
| X 14547 |
| X-14547A |
| 2H-Pyran-2-acetic acid, 6-(1-ethyl-4-(1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl)-1,3-butadienyl)tetrahydro-alpha,5-dimethyl-, (1S-(1-alpha,3-alpha,beta,4-beta,5-beta(1E(2S*(S*),5R*,6S*),3E),7a-alpha))- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.96% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.95% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.81% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.28% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.64% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.98% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.45% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.44% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.25% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.44% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.87% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.61% | 96.47% |
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 | 6441018 |
| LOTUS | LTS0214392 |
| wikiData | Q105100408 |