methyl (1S,5R,8S,11R,15S,18S,19R,20E,24S,26R,29R,30S)-30-hydroxy-3,11,15,21,26,30-hexamethyl-7,10,17-trioxo-8-propan-2-yl-25,32-dioxapentacyclo[27.2.1.02,19.05,18.024,26]dotriaconta-2,20-diene-5-carboxylate
| Internal ID | 2efd8104-6999-4b3f-8e82-2a1c260f7ef3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | methyl (1S,5R,8S,11R,15S,18S,19R,20E,24S,26R,29R,30S)-30-hydroxy-3,11,15,21,26,30-hexamethyl-7,10,17-trioxo-8-propan-2-yl-25,32-dioxapentacyclo[27.2.1.02,19.05,18.024,26]dotriaconta-2,20-diene-5-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H62O8/c1-23(2)28-19-30(42)26(5)12-10-11-24(3)18-31(43)37-29-17-25(4)13-14-35-40(8,49-35)16-15-34-39(7,46)22-33(48-34)36(29)27(6)20-41(37,21-32(28)44)38(45)47-9/h17,23-24,26,28-29,33-35,37,46H,10-16,18-22H2,1-9H3/b25-17+/t24-,26+,28-,29-,33-,34+,35-,37+,39-,40+,41+/m0/s1 |
| InChI Key | UGPAFNCBHWUQDF-HRKLTGOXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C41H62O8 |
| Molecular Weight | 682.90 g/mol |
| Exact Mass | 682.44446893 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of methyl (1S,5R,8S,11R,15S,18S,19R,20E,24S,26R,29R,30S)-30-hydroxy-3,11,15,21,26,30-hexamethyl-7,10,17-trioxo-8-propan-2-yl-25,32-dioxapentacyclo[27.2.1.02,19.05,18.024,26]dotriaconta-2,20-diene-5-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/2ae07860-879f-11ee-b75d-97ceff34e731.jpg "2D Structure of methyl (1S,5R,8S,11R,15S,18S,19R,20E,24S,26R,29R,30S)-30-hydroxy-3,11,15,21,26,30-hexamethyl-7,10,17-trioxo-8-propan-2-yl-25,32-dioxapentacyclo[27.2.1.02,19.05,18.024,26]dotriaconta-2,20-diene-5-carboxylate")
| 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 | 97.86% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.46% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.93% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.84% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.25% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.99% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 92.64% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.38% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.02% | 99.23% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.87% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.60% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.99% | 93.04% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.62% | 94.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.08% | 97.09% |
| CHEMBL5028 | O14672 | ADAM10 | 85.83% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.55% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.91% | 91.07% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.88% | 94.78% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.27% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.18% | 96.47% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 81.94% | 99.17% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 81.81% | 92.98% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.22% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.88% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.66% | 89.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.62% | 91.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.24% | 90.71% |
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.
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| There are no matching plants. |
| PubChem | 162983742 |
| LOTUS | LTS0188708 |
| wikiData | Q105272485 |