14-Hydroxy-3-methoxycarbonyl-10,12-dimethyl-5-methylidene-7-oxo-10-azapentacyclo[10.3.1.12,6.01,9.03,8]heptadecane-16-carboxylic acid
| Internal ID | f6dc2745-4601-446d-9267-803c1b59791a |
| Taxonomy | Organoheterocyclic compounds > Piperidines > Piperidinecarboxylic acids and derivatives > Piperidinecarboxylic acids |
| IUPAC Name | 14-hydroxy-3-methoxycarbonyl-10,12-dimethyl-5-methylidene-7-oxo-10-azapentacyclo[10.3.1.12,6.01,9.03,8]heptadecane-16-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H29NO6/c1-10-6-21(19(28)29-4)13-5-12(10)15(25)14(21)17-22(13)8-11(24)7-20(2,9-23(17)3)16(22)18(26)27/h11-14,16-17,24H,1,5-9H2,2-4H3,(H,26,27) |
| InChI Key | VNDMFSADMLFAMF-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H29NO6 |
| Molecular Weight | 403.50 g/mol |
| Exact Mass | 403.19948764 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | -1.90 |
| There are no found synonyms. |
![2D Structure of 14-Hydroxy-3-methoxycarbonyl-10,12-dimethyl-5-methylidene-7-oxo-10-azapentacyclo[10.3.1.12,6.01,9.03,8]heptadecane-16-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/587d4570-83a3-11ee-9ab3-41c3b118e81a.jpg "2D Structure of 14-Hydroxy-3-methoxycarbonyl-10,12-dimethyl-5-methylidene-7-oxo-10-azapentacyclo[10.3.1.12,6.01,9.03,8]heptadecane-16-carboxylic acid")
| 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 | 97.55% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.27% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.64% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.49% | 91.11% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.65% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.63% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.25% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.07% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.81% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.96% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.26% | 93.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.51% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.94% | 90.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.90% | 89.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.23% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.44% | 99.23% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.43% | 94.42% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.24% | 93.03% |
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.
| Aconitum vilmorinianum |
| PubChem | 163106314 |
| LOTUS | LTS0074023 |
| wikiData | Q105289531 |