10-Acetyloxy-11-hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
| Internal ID | d84998d4-5416-4b90-9ebf-008389a606fe |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 10-acetyloxy-11-hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| SMILES (Canonical) | CC(=O)OC1C(CC2(C(C1(C)CO)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C(=O)OC)C(=O)O)C)C)C)O |
| SMILES (Isomeric) | CC(=O)OC1C(CC2(C(C1(C)CO)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C(=O)OC)C(=O)O)C)C)C)O |
| InChI | InChI=1S/C33H50O8/c1-19(35)41-25-22(36)17-29(3)23(30(25,4)18-34)10-11-32(6)24(29)9-8-20-21-16-28(2,27(39)40-7)12-14-33(21,26(37)38)15-13-31(20,32)5/h8,21-25,34,36H,9-18H2,1-7H3,(H,37,38) |
| InChI Key | DPYLPCCKUFMBGG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H50O8 |
| Molecular Weight | 574.70 g/mol |
| Exact Mass | 574.35056855 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 4.50 |
| 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 | 98.46% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.30% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.22% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.49% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.06% | 95.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.23% | 91.19% |
| CHEMBL2916 | O14746 | Telomerase reverse transcriptase | 88.93% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.90% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.95% | 95.56% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.85% | 97.36% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.56% | 94.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.41% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.37% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.25% | 93.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.45% | 96.77% |
| CHEMBL5028 | O14672 | ADAM10 | 82.54% | 97.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.35% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.29% | 98.95% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.91% | 96.90% |
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.
| Phytolacca acinosa |
| PubChem | 73810266 |
| LOTUS | LTS0038773 |
| wikiData | Q104986796 |