(15,22,24-Trihydroxy-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-(cyclohexene-1-carbonylamino)propanoate
| Internal ID | 00b505bb-474d-474e-b42b-a244534d21e7 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | (15,22,24-trihydroxy-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-(cyclohexene-1-carbonylamino)propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H48N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14-15,18,20-21,24-25,29,31,33,39,41-42H,8-10,13,16-17,19,22H2,1-4H3,(H,37,43)(H,38,40) |
| InChI Key | SGUFCVVYQXHUGM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H48N2O8 |
| Molecular Weight | 636.80 g/mol |
| Exact Mass | 636.34106649 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of (15,22,24-Trihydroxy-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-(cyclohexene-1-carbonylamino)propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/c275de50-8426-11ee-877b-55a392e7b4e3.jpg "2D Structure of (15,22,24-Trihydroxy-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-(cyclohexene-1-carbonylamino)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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.13% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.96% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.75% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.48% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.09% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.73% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.11% | 90.71% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 92.05% | 94.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.92% | 89.63% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.50% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.74% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.14% | 91.19% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.71% | 93.03% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.54% | 96.38% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.46% | 99.15% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.95% | 95.62% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.65% | 96.47% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.60% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.20% | 94.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.61% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.01% | 97.09% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.46% | 95.71% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.17% | 85.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.76% | 91.24% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.79% | 95.89% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.42% | 97.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.41% | 94.73% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.02% | 85.11% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.78% | 93.67% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.56% | 91.03% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.40% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.35% | 99.17% |
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.
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| There are no matching plants. |
| PubChem | 85047527 |
| LOTUS | LTS0213064 |
| wikiData | Q104197284 |