(4S)-4,5-dihydro-4-hydroxygeldanamycin
| Internal ID | 202b0ad7-e0a7-48f6-aa55-730c188a8ccf |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | [(4E,6S,8S,9S,10E,12S,13R,14S,16R)-6,13-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18-tetraen-9-yl] carbamate |
| SMILES (Canonical) | CC1CC(C(C(C=C(C(C(CC(C=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)O)OC)OC(=O)N)C)C)O)OC |
| SMILES (Isomeric) | C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](C[C@@H](/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)\C)O)OC)OC(=O)N)\C)C)O)OC |
| InChI | InChI=1S/C29H42N2O10/c1-14-8-19-25(35)20(13-21(33)27(19)40-7)31-28(36)17(4)11-18(32)12-23(39-6)26(41-29(30)37)16(3)10-15(2)24(34)22(9-14)38-5/h10-11,13-15,18,22-24,26,32,34H,8-9,12H2,1-7H3,(H2,30,37)(H,31,36)/b16-10+,17-11+/t14-,15+,18-,22+,23+,24-,26+/m1/s1 |
| InChI Key | HNYXYDNFRIJYMY-HBDFPOJRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H42N2O10 |
| Molecular Weight | 578.70 g/mol |
| Exact Mass | 578.28394554 g/mol |
| Topological Polar Surface Area (TPSA) | 184.00 Ų |
| XlogP | 0.90 |
| ((4E,6S,8S,9S,10E,12S,13R,14S,16R)-6,13-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo(16.3.1)docosa-1(21),4,10,18-tetraen-9-yl) carbamate |
| [(4E,6S,8S,9S,10E,12S,13R,14S,16R)-6,13-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18-tetraen-9-yl] carbamate |
| RefChem:69541 |
| CHEMBL2087235 |
| CHEBI:205230 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.09% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.91% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.76% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.88% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.76% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.94% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.84% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.71% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.60% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.43% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.76% | 93.03% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.05% | 96.95% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 86.96% | 92.68% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.83% | 90.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.27% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.00% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.80% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.91% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.25% | 86.33% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.28% | 95.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.77% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.56% | 100.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.37% | 97.33% |
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 | 66553960 |
| LOTUS | LTS0208097 |
| wikiData | Q77422953 |