Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate
| Internal ID | bd3b2427-8a35-4043-9ff1-5e9c52ed88e5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | methyl 10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| SMILES (Canonical) | CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)OC)C)C)C |
| SMILES (Isomeric) | CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)OC)C)C)C |
| InChI | InChI=1S/C33H52O4/c1-21(34)37-26-13-14-30(6)24(29(26,4)5)12-15-32(8)25(30)11-10-22-23-20-28(2,3)16-18-33(23,27(35)36-9)19-17-31(22,32)7/h10,23-26H,11-20H2,1-9H3 |
| InChI Key | VTZCFEUQVQTSSV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H52O4 |
| Molecular Weight | 512.80 g/mol |
| Exact Mass | 512.38656014 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 8.40 |
| VTZCFEUQVQTSSV-UHFFFAOYSA-N |
| Oleanolic acid acetate methyl ester |
| Oleanolic acid methyl ester acetate |
| Olean-12-en-28-oic acid, 3.beta.-hydroxy-, methyl ester, acetate |
| Methyl 3-(acetyloxy)olean-12-en-28-oate # |
| Olean-12-en-28-oic acid, 3-(acetyloxy)-, methyl ester, (3.beta.)- |
| 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 | 97.25% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.17% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.81% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.58% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.25% | 97.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.97% | 95.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.85% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.53% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.24% | 95.89% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.38% | 85.30% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.33% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.93% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.78% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.71% | 94.33% |
| CHEMBL5028 | O14672 | ADAM10 | 80.09% | 97.50% |
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.
| Betula dahurica |
| Carduus nigrescens |
| Eucalyptus globulus |
| Guazuma ulmifolia |
| Lithocarpus hancei |
| Machaerium lunatum |
| Phytolacca dodecandra |
| Polylepis australis |
| PubChem | 609115 |
| LOTUS | LTS0088155 |
| wikiData | Q105293107 |