[(5R,6E,8E,10E,13S,14R,15R,16Z)-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] (2R)-2-(3-methylbutanoylamino)propanoate
| Internal ID | fde642fb-1037-445b-8d08-faa9cc7fd436 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | [(5R,6E,8E,10E,13S,14R,15R,16Z)-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] (2R)-2-(3-methylbutanoylamino)propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H48N2O7/c1-22(2)17-31(38)35-25(5)34(41)43-30-16-11-9-7-8-10-15-29(42-6)21-32(39)36-27-18-26(19-28(37)20-27)14-12-13-23(3)33(40)24(30)4/h7-11,13,15,18-20,22,24-25,29-30,33,37,40H,12,14,16-17,21H2,1-6H3,(H,35,38)(H,36,39)/b8-7+,11-9+,15-10+,23-13-/t24-,25+,29-,30-,33-/m0/s1 |
| InChI Key | JPHBJDDGVQSIGJ-SDTWVATMSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C34H48N2O7 |
| Molecular Weight | 596.80 g/mol |
| Exact Mass | 596.34615187 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 5.00 |
| CHEMBL4212488 |
| [(5R,6E,8E,10E,13S,14R,15R,16Z)-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] (2R)-2-(3-methylbutanoylamino)propanoate |
![2D Structure of [(5R,6E,8E,10E,13S,14R,15R,16Z)-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] (2R)-2-(3-methylbutanoylamino)propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/trienomycin-b.jpg "2D Structure of [(5R,6E,8E,10E,13S,14R,15R,16Z)-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] (2R)-2-(3-methylbutanoylamino)propanoate")
| 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 | 99.68% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.35% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.03% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.49% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.93% | 89.63% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.48% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.47% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.02% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.45% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.63% | 98.75% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 89.23% | 94.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.63% | 96.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.46% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.01% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.39% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.09% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.18% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.14% | 90.08% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.54% | 97.21% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.10% | 91.07% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.28% | 94.73% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.24% | 90.93% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.91% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.77% | 94.75% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.67% | 85.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.20% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.16% | 95.89% |
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 | 13787476 |
| LOTUS | LTS0016094 |
| wikiData | Q105132730 |