16-Hydroxy-7-(4-hydroxy-4-methylpent-2-enyl)-2,9,13,17,17-pentamethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-ene-6,19-dione
| Internal ID | a9753fca-db00-4555-bb19-65fdc8c8b142 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 16-hydroxy-7-(4-hydroxy-4-methylpent-2-enyl)-2,9,13,17,17-pentamethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-ene-6,19-dione |
| SMILES (Canonical) | CC1(C(CCC2(C1C(=O)C=C3C2CCC4(C3(CC5C4C(C(=O)O5)CC=CC(C)(C)O)C)C)C)O)C |
| SMILES (Isomeric) | CC1(C(CCC2(C1C(=O)C=C3C2CCC4(C3(CC5C4C(C(=O)O5)CC=CC(C)(C)O)C)C)C)O)C |
| InChI | InChI=1S/C30H44O5/c1-26(2,34)12-8-9-17-23-21(35-25(17)33)16-30(7)19-15-20(31)24-27(3,4)22(32)11-13-28(24,5)18(19)10-14-29(23,30)6/h8,12,15,17-18,21-24,32,34H,9-11,13-14,16H2,1-7H3 |
| InChI Key | VQIWXHHPWAHGHX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H44O5 |
| Molecular Weight | 484.70 g/mol |
| Exact Mass | 484.31887450 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 16-Hydroxy-7-(4-hydroxy-4-methylpent-2-enyl)-2,9,13,17,17-pentamethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-ene-6,19-dione](https://plantaedb.com/storage/docs/compounds/2023/11/9fec5730-8576-11ee-9e4c-cfd2b0fb20b6.jpg "2D Structure of 16-Hydroxy-7-(4-hydroxy-4-methylpent-2-enyl)-2,9,13,17,17-pentamethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-ene-6,19-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 |
|---|---|---|---|---|
| CHEMBL204 | P00734 | Thrombin | 96.10% | 96.01% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.91% | 91.11% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 95.37% | 94.78% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.80% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.63% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.46% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.61% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.40% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.14% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.08% | 82.69% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.60% | 89.34% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.10% | 96.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.86% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.96% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.91% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.42% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.12% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.43% | 91.07% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.87% | 97.28% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.86% | 94.75% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.19% | 96.43% |
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.
| Melia azedarach |
| PubChem | 75149274 |
| LOTUS | LTS0153016 |
| wikiData | Q105291287 |