methyl 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-8-oxo-3,4,5,6,7,8a,10,11,12,14b-decahydro-1H-picene-2-carboxylate
| Internal ID | 7bc5a92a-da8c-41d9-94d7-8d68f621b42c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | methyl 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-8-oxo-3,4,5,6,7,8a,10,11,12,14b-decahydro-1H-picene-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H46O4/c1-26(2)23(33)11-12-29(5)22-10-9-19-20-17-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,6)31(22,7)18-21(32)24(26)29/h9-10,20,23-24,33H,11-18H2,1-8H3 |
| InChI Key | WSIGIYXRBYAAKJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H46O4 |
| Molecular Weight | 482.70 g/mol |
| Exact Mass | 482.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 5.90 |
| 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 | 97.72% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.84% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.49% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.34% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.06% | 96.77% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 90.25% | 94.78% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.94% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.68% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.36% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.27% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.35% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.43% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.13% | 92.62% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.26% | 92.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.14% | 94.33% |
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.
| Glycyrrhiza triphylla |
| PubChem | 162927497 |
| LOTUS | LTS0134267 |
| wikiData | Q105311873 |