Tubacetine
| Internal ID | 4b23f6f1-ce9d-4659-a837-583063579ce0 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzamides |
| IUPAC Name | [(3S)-4-acetyloxy-1-[(2S,3R)-3-[[4-(2-benzamidoethyl)phenoxy]methyl]-2-methyloxiran-2-yl]-4-methylpentan-3-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H37NO7/c1-20(31)35-25(28(3,4)36-21(2)32)15-17-29(5)26(37-29)19-34-24-13-11-22(12-14-24)16-18-30-27(33)23-9-7-6-8-10-23/h6-14,25-26H,15-19H2,1-5H3,(H,30,33)/t25-,26+,29-/m0/s1 |
| InChI Key | NOVLFFMRABKFQF-HFASVGIHSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C29H37NO7 |
| Molecular Weight | 511.60 g/mol |
| Exact Mass | 511.25700252 g/mol |
| Topological Polar Surface Area (TPSA) | 103.00 Ų |
| XlogP | 4.20 |
| CHEMBL477734 |
| 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 | 98.40% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.73% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.67% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.71% | 99.17% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 95.98% | 92.51% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.40% | 97.25% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 94.34% | 87.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.19% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.59% | 94.73% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.55% | 95.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.49% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.93% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.17% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.69% | 90.17% |
| CHEMBL240 | Q12809 | HERG | 88.92% | 89.76% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 88.53% | 96.67% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 86.82% | 89.33% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 86.34% | 81.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.68% | 95.89% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.99% | 95.71% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.62% | 94.00% |
| CHEMBL5028 | O14672 | ADAM10 | 84.18% | 97.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.96% | 94.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.44% | 93.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.43% | 97.14% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.88% | 93.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.72% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.26% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.22% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.60% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.56% | 94.45% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.40% | 92.67% |
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.
| Haplophyllum tuberculatum |
| PubChem | 44584601 |
| LOTUS | LTS0024576 |
| wikiData | Q105182831 |