10-Ethenyl-24,29-dihydroxy-22-(hydroxymethyl)-18,26,30-trimethyl-12-nona-1,3,5-trienyl-2,16-dioxaheptacyclo[16.13.0.01,19.09,14.011,13.020,29.024,28]hentriaconta-5,7,21,26-tetraene-3,15,25-trione
| Internal ID | 3f821210-4fd9-407a-a451-364a6f8f2d4e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 10-ethenyl-24,29-dihydroxy-22-(hydroxymethyl)-18,26,30-trimethyl-12-nona-1,3,5-trienyl-2,16-dioxaheptacyclo[16.13.0.01,19.09,14.011,13.020,29.024,28]hentriaconta-5,7,21,26-tetraene-3,15,25-trione |
| SMILES (Canonical) | CCCC=CC=CC=CC1C2C1C3C(C2C=C)C=CC=CCC(=O)OC45CC(C6(C(C4C5(COC3=O)C)C=C(CC7(C6C=C(C7=O)C)O)CO)O)C |
| SMILES (Isomeric) | CCCC=CC=CC=CC1C2C1C3C(C2C=C)C=CC=CCC(=O)OC45CC(C6(C(C4C5(COC3=O)C)C=C(CC7(C6C=C(C7=O)C)O)CO)O)C |
| InChI | InChI=1S/C44H54O8/c1-6-8-9-10-11-12-14-18-31-35-29(7-2)30-17-15-13-16-19-34(46)52-43-22-27(4)44(50)32(38(43)41(43,5)25-51-40(48)37(30)36(31)35)21-28(24-45)23-42(49)33(44)20-26(3)39(42)47/h7,9-18,20-21,27,29-33,35-38,45,49-50H,2,6,8,19,22-25H2,1,3-5H3 |
| InChI Key | NOCZGDSJVOQKDP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H54O8 |
| Molecular Weight | 710.90 g/mol |
| Exact Mass | 710.38186868 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of 10-Ethenyl-24,29-dihydroxy-22-(hydroxymethyl)-18,26,30-trimethyl-12-nona-1,3,5-trienyl-2,16-dioxaheptacyclo[16.13.0.01,19.09,14.011,13.020,29.024,28]hentriaconta-5,7,21,26-tetraene-3,15,25-trione](https://plantaedb.com/storage/docs/compounds/2023/11/b0317d20-8550-11ee-90ab-09bc7006e0d6.jpg "2D Structure of 10-Ethenyl-24,29-dihydroxy-22-(hydroxymethyl)-18,26,30-trimethyl-12-nona-1,3,5-trienyl-2,16-dioxaheptacyclo[16.13.0.01,19.09,14.011,13.020,29.024,28]hentriaconta-5,7,21,26-tetraene-3,15,25-trione")
| 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 | 97.43% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.85% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.21% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.78% | 95.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.54% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.10% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.13% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.93% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.11% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.32% | 89.34% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.00% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.78% | 99.23% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.58% | 96.43% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.16% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.63% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.33% | 97.14% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.87% | 98.00% |
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.
| Jatropha curcas |
| PubChem | 85307376 |
| LOTUS | LTS0053768 |
| wikiData | Q105182485 |