11-Hydroxy-10-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
| Internal ID | 72ffbd18-d0e9-43e3-87ea-31d0da1baca6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 11-hydroxy-10-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| SMILES (Canonical) | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)O)C)C)C2C1)C)C(=O)O)C |
| SMILES (Isomeric) | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)O)C)C)C2C1)C)C(=O)O)C |
| InChI | InChI=1S/C40H56O7/c1-35(2)17-19-40(34(44)45)20-18-38(6)25(26(40)22-35)11-13-31-37(5)23-28(42)33(36(3,4)30(37)15-16-39(31,38)7)47-32(43)14-10-24-9-12-27(41)29(21-24)46-8/h9-12,14,21,26,28,30-31,33,41-42H,13,15-20,22-23H2,1-8H3,(H,44,45) |
| InChI Key | NCAUKTRHFNKPLU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H56O7 |
| Molecular Weight | 648.90 g/mol |
| Exact Mass | 648.40260412 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 8.80 |
| There are no found synonyms. |
![2D Structure of 11-Hydroxy-10-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2b578410-855a-11ee-b000-01dea26782a1.jpg "2D Structure of 11-Hydroxy-10-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid")
| 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 | 99.73% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.82% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.75% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.19% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.40% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.82% | 86.33% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 91.77% | 92.98% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.73% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.25% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.81% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.08% | 91.07% |
| CHEMBL3194 | P02766 | Transthyretin | 88.05% | 90.71% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.67% | 91.03% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.36% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.27% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.92% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.46% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.87% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.66% | 97.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.63% | 89.62% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.61% | 91.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.54% | 93.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.18% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.18% | 90.17% |
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.
| Eucalyptus camaldulensis |
| Microcos paniculata |
| PubChem | 137796426 |
| LOTUS | LTS0217042 |
| wikiData | Q105177104 |