Methyl 12-acetyloxy-14-(hydroxymethyl)-5,9,13-trimethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylate
| Internal ID | 14403b66-2181-4607-83a5-aa15e9a6cc07 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | methyl 12-acetyloxy-14-(hydroxymethyl)-5,9,13-trimethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylate |
| SMILES (Canonical) | CC(=O)OC1C=C2C3(CCCC(C3CCC24CC1(C(O4)CO)C)(C)C(=O)OC)C |
| SMILES (Isomeric) | CC(=O)OC1C=C2C3(CCCC(C3CCC24CC1(C(O4)CO)C)(C)C(=O)OC)C |
| InChI | InChI=1S/C23H34O6/c1-14(25)28-17-11-16-20(2)8-6-9-21(3,19(26)27-5)15(20)7-10-23(16)13-22(17,4)18(12-24)29-23/h11,15,17-18,24H,6-10,12-13H2,1-5H3 |
| InChI Key | AXKGKFUYPFXADG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H34O6 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of Methyl 12-acetyloxy-14-(hydroxymethyl)-5,9,13-trimethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/b0c074e0-85b2-11ee-a9aa-91d5b016e04a.jpg "2D Structure of Methyl 12-acetyloxy-14-(hydroxymethyl)-5,9,13-trimethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylate")
| 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 | 97.90% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.45% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.90% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.39% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.25% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.13% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.07% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.63% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.10% | 91.07% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.17% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.80% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.98% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.82% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.68% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.62% | 95.50% |
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.
| Helianthus hirsutus |
| PubChem | 163034073 |
| LOTUS | LTS0206001 |
| wikiData | Q104920611 |