15-(5,6-Dimethylhept-3-en-2-yl)-6,17-dihydroxy-3,14-dimethyl-9-oxapentacyclo[12.3.1.02,12.03,8.08,10]octadec-2(12)-ene-11,13-dione
| Internal ID | 1e4312a1-a391-4504-bd98-8c4ea37726d3 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | 15-(5,6-dimethylhept-3-en-2-yl)-6,17-dihydroxy-3,14-dimethyl-9-oxapentacyclo[12.3.1.02,12.03,8.08,10]octadec-2(12)-ene-11,13-dione |
| SMILES (Canonical) | CC(C)C(C)C=CC(C)C1CC(C2CC1(C(=O)C3=C2C4(CCC(CC45C(C3=O)O5)O)C)C)O |
| SMILES (Isomeric) | CC(C)C(C)C=CC(C)C1CC(C2CC1(C(=O)C3=C2C4(CCC(CC45C(C3=O)O5)O)C)C)O |
| InChI | InChI=1S/C28H40O5/c1-14(2)15(3)7-8-16(4)19-11-20(30)18-13-26(19,5)24(32)21-22(18)27(6)10-9-17(29)12-28(27)25(33-28)23(21)31/h7-8,14-20,25,29-30H,9-13H2,1-6H3 |
| InChI Key | NQJNHLHHPPGXNC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H40O5 |
| Molecular Weight | 456.60 g/mol |
| Exact Mass | 456.28757437 g/mol |
| Topological Polar Surface Area (TPSA) | 87.10 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 15-(5,6-Dimethylhept-3-en-2-yl)-6,17-dihydroxy-3,14-dimethyl-9-oxapentacyclo[12.3.1.02,12.03,8.08,10]octadec-2(12)-ene-11,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/0aa00320-85ca-11ee-9ace-e19067a3d9ef.jpg "2D Structure of 15-(5,6-Dimethylhept-3-en-2-yl)-6,17-dihydroxy-3,14-dimethyl-9-oxapentacyclo[12.3.1.02,12.03,8.08,10]octadec-2(12)-ene-11,13-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.50% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.31% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.32% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.21% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.06% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.58% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.12% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.07% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.01% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.98% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.65% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.48% | 95.93% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.13% | 99.23% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.71% | 95.58% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.34% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.11% | 86.33% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.80% | 92.88% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.97% | 95.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.90% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.28% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.14% | 93.03% |
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 | 163057201 |
| LOTUS | LTS0053997 |
| wikiData | Q104179905 |