2-Oxo-2-[(5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl)methoxy]acetic acid
| Internal ID | 0835605e-0749-4db9-aaa3-b8b2dadd7a55 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 2-oxo-2-[(5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl)methoxy]acetic acid |
| SMILES (Canonical) | CC12CCC3C4(CCCC(C4CCC3(C1)C=C2)(C)COC(=O)C(=O)O)C |
| SMILES (Isomeric) | CC12CCC3C4(CCCC(C4CCC3(C1)C=C2)(C)COC(=O)C(=O)O)C |
| InChI | InChI=1S/C22H32O4/c1-19-9-5-16-21(3)8-4-7-20(2,14-26-18(25)17(23)24)15(21)6-10-22(16,13-19)12-11-19/h11-12,15-16H,4-10,13-14H2,1-3H3,(H,23,24) |
| InChI Key | CMARQECGDGAALM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O4 |
| Molecular Weight | 360.50 g/mol |
| Exact Mass | 360.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of 2-Oxo-2-[(5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl)methoxy]acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-oxo-2-5913-trimethyl-5-tetracyclo11210110049hexadec-14-enylmethoxyacetic-acid.jpg "2D Structure of 2-Oxo-2-[(5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl)methoxy]acetic 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.00% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.87% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.02% | 96.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.82% | 90.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.40% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.85% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.78% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.34% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.62% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.29% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.65% | 96.61% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.56% | 93.67% |
| CHEMBL5028 | O14672 | ADAM10 | 81.43% | 97.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.99% | 95.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.74% | 92.50% |
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.
| Fabiana densa |
| PubChem | 85109032 |
| LOTUS | LTS0178577 |
| wikiData | Q104964256 |