Olean-12-en-28-oic acid, 3-[[3-(4-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, methyl ester, [3beta(Z)]-
| Internal ID | 0d502284-b714-4e25-8f84-8848c0538fd4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | methyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-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) | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)OC)C)C)C2C1)C)C(=O)OC)C |
| SMILES (Isomeric) | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)C)(C)C)OC(=O)/C=C\C6=CC=C(C=C6)OC |
| InChI | InChI=1S/C41H58O5/c1-36(2)22-24-41(35(43)45-9)25-23-39(6)29(30(41)26-36)15-16-32-38(5)20-19-33(37(3,4)31(38)18-21-40(32,39)7)46-34(42)17-12-27-10-13-28(44-8)14-11-27/h10-15,17,30-33H,16,18-26H2,1-9H3/b17-12-/t30-,31-,32+,33-,38-,39+,40+,41-/m0/s1 |
| InChI Key | JDJFVYIDKQYTCC-XFCZGZHISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H58O5 |
| Molecular Weight | 630.90 g/mol |
| Exact Mass | 630.42842495 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 10.40 |
| 189140-50-9 |
| Olean-12-en-28-oic acid, 3-[[3-(4-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, methyl ester, [3beta(Z)]- |
![2D Structure of Olean-12-en-28-oic acid, 3-[[3-(4-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, methyl ester, [3beta(Z)]-](https://plantaedb.com/storage/docs/compounds/2023/11/olean-12-en-28-oic-acid-3-3-4-methoxyphenyl-1-oxo-2-propenyloxy-methyl-ester-3betaz-.jpg "2D Structure of Olean-12-en-28-oic acid, 3-[[3-(4-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, methyl ester, [3beta(Z)]-")
| 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 | 98.78% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.00% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.98% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.14% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.11% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.09% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.97% | 93.99% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.83% | 85.30% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.79% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.57% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.01% | 86.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.31% | 91.03% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.65% | 92.98% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.15% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.60% | 99.17% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.41% | 85.31% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.39% | 91.19% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.19% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.09% | 90.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.92% | 93.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.75% | 94.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.58% | 96.00% |
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.
| Eucalyptus globulus |
| PubChem | 102066698 |
| LOTUS | LTS0113277 |
| wikiData | Q105125529 |