16-Hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpent-4-enyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-8-one
| Internal ID | 1d2a47bf-5230-4fa6-ade9-455029e5d878 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 16-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpent-4-enyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-8-one |
| SMILES (Canonical) | CC(=C)CCCC1(C2CCC3(C2(CCC4C3=CCC5C4(CCC(C5(C)C)O)C)C(=O)O1)C)C |
| SMILES (Isomeric) | CC(=C)CCCC1(C2CCC3(C2(CCC4C3=CCC5C4(CCC(C5(C)C)O)C)C(=O)O1)C)C |
| InChI | InChI=1S/C30H46O3/c1-19(2)9-8-15-29(7)23-13-17-28(6)21-10-11-22-26(3,4)24(31)14-16-27(22,5)20(21)12-18-30(23,28)25(32)33-29/h10,20,22-24,31H,1,8-9,11-18H2,2-7H3 |
| InChI Key | PQMCNCMQEOZNTO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H46O3 |
| Molecular Weight | 454.70 g/mol |
| Exact Mass | 454.34469533 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of 16-Hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpent-4-enyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/fdfd73c0-84be-11ee-89c3-d1dd328f2649.jpg "2D Structure of 16-Hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpent-4-enyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-8-one")
| 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 | 98.01% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.27% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.60% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.59% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.91% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.96% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.90% | 90.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.42% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.14% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.30% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.12% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.20% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.18% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.46% | 90.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.02% | 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.
To see more specific details click the taxa you are interested in.
| Micromeles japonica |
| PubChem | 73833796 |
| LOTUS | LTS0195008 |
| wikiData | Q105213281 |