methyl (2S,4R,4aR,6aR,6aS,14aS,14bS)-4,10-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
| Internal ID | 220f296e-a86e-40b4-814e-7cb0c9c54092 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | methyl (2S,4R,4aR,6aR,6aS,14aS,14bS)-4,10-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H40O5/c1-17-18-8-9-21-27(3,19(18)14-20(31)24(17)33)10-12-30(6)22-15-26(2,25(34)35-7)16-23(32)28(22,4)11-13-29(21,30)5/h8-9,14,22-23,32-33H,10-13,15-16H2,1-7H3/t22-,23-,26+,27+,28-,29-,30+/m1/s1 |
| InChI Key | FCLVVMYYLOUUBE-ZAJOBMQLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H40O5 |
| Molecular Weight | 480.60 g/mol |
| Exact Mass | 480.28757437 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
| 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 | 97.18% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.19% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.71% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.24% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.91% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.49% | 95.56% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 87.53% | 94.78% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.31% | 91.07% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.67% | 82.69% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 83.45% | 95.52% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.43% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.34% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.00% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.17% | 93.03% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.64% | 95.38% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.00% | 91.49% |
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.
| Cheiloclinium cognatum |
| PubChem | 12149320 |
| LOTUS | LTS0212845 |
| wikiData | Q104993213 |