Methyl 24-Acetoxypolpunonate
| Internal ID | 0b9d2794-d6e5-4803-8dd9-8018297c7f87 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | methyl (2R,4aS,6aR,6aR,6bS,8aR,9R,12aS,14aS,14bR)-8a-(acetyloxymethyl)-2,4a,6a,6a,9,14a-hexamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-2-carboxylate |
| SMILES (Canonical) | CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C)COC(=O)C |
| SMILES (Isomeric) | C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)OC)C)C)C)C)COC(=O)C |
| InChI | InChI=1S/C33H52O5/c1-21-23(35)9-10-25-30(5)16-18-32(7)26-19-29(4,27(36)37-8)14-13-28(26,3)15-17-31(32,6)24(30)11-12-33(21,25)20-38-22(2)34/h21,24-26H,9-20H2,1-8H3/t21-,24-,25-,26+,28+,29+,30+,31+,32-,33-/m0/s1 |
| InChI Key | KHXONCDDHKTKRA-CEIIXAQYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C33H52O5 |
| Molecular Weight | 528.80 g/mol |
| Exact Mass | 528.38147475 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 7.60 |
| CHEMBL501488 |
| 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 | 97.62% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.58% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.17% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.53% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.10% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.59% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.03% | 92.94% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.66% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.38% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.01% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.61% | 94.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.09% | 91.07% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.96% | 94.75% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.24% | 98.03% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.10% | 93.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.24% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.56% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.29% | 91.24% |
| CHEMBL5028 | O14672 | ADAM10 | 80.60% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.36% | 100.00% |
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.
| Kokoona ochracea |
| PubChem | 44559601 |
| LOTUS | LTS0085936 |
| wikiData | Q105141367 |