Methyl 2-(7-acetyloxy-6,10-dihydroxy-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadec-11-en-3-yl)prop-2-enoate
| Internal ID | 1b2a73f6-8e4e-4720-a4dc-4f0184a223bb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | methyl 2-(7-acetyloxy-6,10-dihydroxy-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadec-11-en-3-yl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H36O7/c1-15(20(25)28-6)17-8-13-22(4,27)18(29-16(2)24)9-12-21(3,26)10-7-11-23(5)19(14-17)30-23/h7,10,17-19,26-27H,1,8-9,11-14H2,2-6H3 |
| InChI Key | HYGQABJPKDJZNQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H36O7 |
| Molecular Weight | 424.50 g/mol |
| Exact Mass | 424.24610348 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of Methyl 2-(7-acetyloxy-6,10-dihydroxy-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadec-11-en-3-yl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/de91e9e0-8532-11ee-b334-576a24e6ef9b.jpg "2D Structure of Methyl 2-(7-acetyloxy-6,10-dihydroxy-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadec-11-en-3-yl)prop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.41% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.08% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.00% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.02% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.92% | 91.19% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.49% | 83.82% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.45% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.97% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.42% | 97.14% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.32% | 91.24% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.32% | 96.77% |
| CHEMBL5028 | O14672 | ADAM10 | 82.61% | 97.50% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.53% | 89.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.40% | 91.07% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.12% | 91.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.08% | 97.25% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.48% | 98.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.34% | 89.00% |
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.
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| There are no matching plants. |
| PubChem | 75169398 |
| LOTUS | LTS0116168 |
| wikiData | Q105035306 |