(5-Formyl-13-hydroxy-1,9-dimethyl-13-propan-2-yl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-7-yl) acetate
| Internal ID | ad9ee522-bfaf-4b28-9df6-2cfde91b233e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | (5-formyl-13-hydroxy-1,9-dimethyl-13-propan-2-yl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-7-yl) acetate |
| SMILES (Canonical) | CC1=CC(CC2(C(O2)CC3(CCC(C3CC1)(C(C)C)O)C)C=O)OC(=O)C |
| SMILES (Isomeric) | CC1=CC(CC2(C(O2)CC3(CCC(C3CC1)(C(C)C)O)C)C=O)OC(=O)C |
| InChI | InChI=1S/C22H34O5/c1-14(2)22(25)9-8-20(5)12-19-21(13-23,27-19)11-17(26-16(4)24)10-15(3)6-7-18(20)22/h10,13-14,17-19,25H,6-9,11-12H2,1-5H3 |
| InChI Key | GVXDJURQUSZJIH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H34O5 |
| Molecular Weight | 378.50 g/mol |
| Exact Mass | 378.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 76.10 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (5-Formyl-13-hydroxy-1,9-dimethyl-13-propan-2-yl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-7-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/7e477710-86e5-11ee-b277-13a70023d3c1.jpg "2D Structure of (5-Formyl-13-hydroxy-1,9-dimethyl-13-propan-2-yl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-7-yl) acetate")
| 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 | 97.89% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.51% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.05% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.40% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.16% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.20% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.16% | 95.89% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.33% | 94.08% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.45% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.91% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.90% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.48% | 92.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.08% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.93% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.25% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.99% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.80% | 91.07% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.40% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.33% | 100.00% |
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.
| Odontoschisma denudatum |
| PubChem | 162995192 |
| LOTUS | LTS0072971 |
| wikiData | Q105021960 |