3-(11-Methyl-17-propan-2-yl-14-oxa-16-azapentacyclo[11.3.1.02,11.03,7.010,15]heptadec-3-en-2-yl)propanoic acid
| Internal ID | 1fb278e3-9310-4750-a24f-9d1f6056b2ea |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 3-(11-methyl-17-propan-2-yl-14-oxa-16-azapentacyclo[11.3.1.02,11.03,7.010,15]heptadec-3-en-2-yl)propanoic acid |
| SMILES (Canonical) | CC(C)C1C2CC3(C4CCC5CCC=C5C3(C1NC4O2)CCC(=O)O)C |
| SMILES (Isomeric) | CC(C)C1C2CC3(C4CCC5CCC=C5C3(C1NC4O2)CCC(=O)O)C |
| InChI | InChI=1S/C22H33NO3/c1-12(2)18-16-11-21(3)15-8-7-13-5-4-6-14(13)22(21,10-9-17(24)25)19(18)23-20(15)26-16/h6,12-13,15-16,18-20,23H,4-5,7-11H2,1-3H3,(H,24,25) |
| InChI Key | SOIZKWUEDVIFPK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H33NO3 |
| Molecular Weight | 359.50 g/mol |
| Exact Mass | 359.24604391 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 3-(11-Methyl-17-propan-2-yl-14-oxa-16-azapentacyclo[11.3.1.02,11.03,7.010,15]heptadec-3-en-2-yl)propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/adc6cac0-86b4-11ee-a94e-ef4a89600076.jpg "2D Structure of 3-(11-Methyl-17-propan-2-yl-14-oxa-16-azapentacyclo[11.3.1.02,11.03,7.010,15]heptadec-3-en-2-yl)propanoic 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 | 99.34% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.41% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.93% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.69% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.15% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.84% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.46% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.64% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.17% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.71% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.51% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.88% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.77% | 95.89% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.55% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.03% | 94.73% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 82.01% | 95.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.98% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.79% | 96.77% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.79% | 92.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.60% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.35% | 97.25% |
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.
| Daphniphyllum calycinum |
| PubChem | 162939288 |
| LOTUS | LTS0010094 |
| wikiData | Q105256962 |