(1-Hydroxy-14-methoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) acetate
| Internal ID | e98c447f-cfbf-4cec-b8cc-f481a4b2cd18 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1-hydroxy-14-methoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) acetate |
| SMILES (Canonical) | CC(=O)OC1CC(C2(C(C1(C)C)CCC3(C2C(C=C4C3(CCC5(C4CC(CC5)(C)C)C)C)OC)C)C)O |
| SMILES (Isomeric) | CC(=O)OC1CC(C2(C(C1(C)C)CCC3(C2C(C=C4C3(CCC5(C4CC(CC5)(C)C)C)C)OC)C)C)O |
| InChI | InChI=1S/C33H54O4/c1-20(34)37-26-18-25(35)33(9)24(29(26,4)5)11-12-32(8)27(33)23(36-10)17-21-22-19-28(2,3)13-14-30(22,6)15-16-31(21,32)7/h17,22-27,35H,11-16,18-19H2,1-10H3 |
| InChI Key | LMXRXGYYXFRPQX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H54O4 |
| Molecular Weight | 514.80 g/mol |
| Exact Mass | 514.40221020 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 8.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.02% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.61% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.84% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.52% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.58% | 96.95% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 88.47% | 94.78% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.25% | 92.94% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.83% | 97.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.20% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.20% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.62% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.81% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.23% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.09% | 90.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.43% | 92.62% |
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.
| Dendrophthoe falcata |
| PubChem | 73036810 |
| LOTUS | LTS0098243 |
| wikiData | Q105154177 |