16,17-Dihydroxy-9,18,18-trimethyl-7-(4-methylpent-3-enyl)-6-oxo-5-oxapentacyclo[10.9.0.02,9.04,8.014,19]henicosa-11,13-diene-2-carbaldehyde
| Internal ID | 1022612a-dfdc-4b83-be6a-e6f60e9a6300 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 16,17-dihydroxy-9,18,18-trimethyl-7-(4-methylpent-3-enyl)-6-oxo-5-oxapentacyclo[10.9.0.02,9.04,8.014,19]henicosa-11,13-diene-2-carbaldehyde |
| SMILES (Canonical) | CC(=CCCC1C2C(CC3(C2(CC=C4C3CCC5C(=C4)CC(C(C5(C)C)O)O)C)C=O)OC1=O)C |
| SMILES (Isomeric) | CC(=CCCC1C2C(CC3(C2(CC=C4C3CCC5C(=C4)CC(C(C5(C)C)O)O)C)C=O)OC1=O)C |
| InChI | InChI=1S/C30H42O5/c1-17(2)7-6-8-20-25-24(35-27(20)34)15-30(16-31)22-10-9-21-19(13-18(22)11-12-29(25,30)5)14-23(32)26(33)28(21,3)4/h7,11,13,16,20-26,32-33H,6,8-10,12,14-15H2,1-5H3 |
| InChI Key | SKMJFLCULWXBDN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H42O5 |
| Molecular Weight | 482.60 g/mol |
| Exact Mass | 482.30322444 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 16,17-Dihydroxy-9,18,18-trimethyl-7-(4-methylpent-3-enyl)-6-oxo-5-oxapentacyclo[10.9.0.02,9.04,8.014,19]henicosa-11,13-diene-2-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/34f49660-857c-11ee-956e-17c770f52cef.jpg "2D Structure of 16,17-Dihydroxy-9,18,18-trimethyl-7-(4-methylpent-3-enyl)-6-oxo-5-oxapentacyclo[10.9.0.02,9.04,8.014,19]henicosa-11,13-diene-2-carbaldehyde")
| 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 | 97.65% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.82% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 94.25% | 89.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.57% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.82% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.75% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.70% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.50% | 98.95% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.41% | 93.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.19% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.95% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.88% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.18% | 97.09% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.91% | 83.10% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.73% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.56% | 91.24% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.22% | 92.94% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.07% | 94.78% |
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.
| There are no matching plants. |
| PubChem | 85148396 |
| LOTUS | LTS0053299 |
| wikiData | Q104197383 |