Methyl 21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylate
| Internal ID | 00702534-7c0b-46c6-8fd9-ada9d748fd87 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | methyl 21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylate |
| SMILES (Canonical) | CC1C23CCC4C(C2CCC1(OC3)O)(CCC5(C4(CCC6(C5CC(CC6)(C)C(=O)OC)C)C)C)C |
| SMILES (Isomeric) | CC1C23CCC4C(C2CCC1(OC3)O)(CCC5(C4(CCC6(C5CC(CC6)(C)C(=O)OC)C)C)C)C |
| InChI | InChI=1S/C31H50O4/c1-20-30-10-8-21-27(4,22(30)9-11-31(20,33)35-19-30)15-17-29(6)23-18-26(3,24(32)34-7)13-12-25(23,2)14-16-28(21,29)5/h20-23,33H,8-19H2,1-7H3 |
| InChI Key | UZFRCCHTCLKPLT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H50O4 |
| Molecular Weight | 486.70 g/mol |
| Exact Mass | 486.37091007 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 7.60 |
| NSC656592 |
| methyl hydroxy(hexamethyl)[?]carboxylate |
| 5H-3,5a-Methanochryseno[2,1-c]oxepin-12-carboxylic acid, eicosahydro-3-hydroxy-7b,9a,12,13b,15a,16-hexamethyl-, methyl ester |
![2D Structure of Methyl 21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/b9af84f0-8573-11ee-ac9e-4318a092e821.jpg "2D Structure of Methyl 21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.91% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.83% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.79% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.22% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.98% | 92.94% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.89% | 97.93% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.57% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.52% | 91.19% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.43% | 96.38% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.78% | 95.58% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.39% | 99.23% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.43% | 91.03% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.35% | 94.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.30% | 91.07% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 84.82% | 98.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.46% | 97.09% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.34% | 95.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.77% | 96.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.00% | 93.03% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.44% | 98.10% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.61% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.29% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.96% | 92.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.73% | 91.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.36% | 98.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.27% | 89.50% |
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.
| Kokoona ochracea |
| PubChem | 495484 |
| LOTUS | LTS0215802 |
| wikiData | Q105282165 |