(15,22-Dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl) 2-acetamidopropanoate
| Internal ID | f329f8f9-273c-4620-ae27-8a9cb6932811 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl) 2-acetamidopropanoate |
| SMILES (Canonical) | CC1C(CC=CC=CC=CC(CC(=O)NC2=CC(=CC(=C2)CCC=C(C1O)C)O)OC)OC(=O)C(C)NC(=O)C |
| SMILES (Isomeric) | CC1C(CC=CC=CC=CC(CC(=O)NC2=CC(=CC(=C2)CCC=C(C1O)C)O)OC)OC(=O)C(C)NC(=O)C |
| InChI | InChI=1S/C31H42N2O7/c1-20-12-11-13-24-16-25(18-26(35)17-24)33-29(36)19-27(39-5)14-9-7-6-8-10-15-28(21(2)30(20)37)40-31(38)22(3)32-23(4)34/h6-10,12,14,16-18,21-22,27-28,30,35,37H,11,13,15,19H2,1-5H3,(H,32,34)(H,33,36) |
| InChI Key | XABMJNPASAJFSG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H42N2O7 |
| Molecular Weight | 554.70 g/mol |
| Exact Mass | 554.29920168 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of (15,22-Dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl) 2-acetamidopropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/dafbb500-8531-11ee-bd52-d5d3a242c09e.jpg "2D Structure of (15,22-Dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl) 2-acetamidopropanoate")
| 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 | 99.69% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.82% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.64% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.61% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.11% | 95.56% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 91.07% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.32% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.06% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.76% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.67% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.91% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.46% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.21% | 97.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.14% | 97.21% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.10% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.95% | 94.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.53% | 93.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.48% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.37% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.65% | 91.07% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.59% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.46% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.33% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.98% | 90.08% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.07% | 96.38% |
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 | 162815278 |
| LOTUS | LTS0036088 |
| wikiData | Q104200791 |