11-Hydroxy-10-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyloxy]-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-4-carboxylic acid
| Internal ID | 3ca8c097-6e5c-41ce-8b32-bac501ae4c74 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 11-hydroxy-10-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyloxy]-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-4-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H56O7/c1-22-19-26(36(44)45)25-15-17-39(6)27(34(25)23(22)2)11-13-32-38(5)21-29(42)35(37(3,4)31(38)16-18-40(32,39)7)47-33(43)14-10-24-9-12-30(46-8)28(41)20-24/h9-12,14,20,22-23,25-26,29,31-32,34-35,41-42H,13,15-19,21H2,1-8H3,(H,44,45) |
| InChI Key | ZVKVEBFQRKPFKG-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 | 8.70 |
| There are no found synonyms. |
![2D Structure of 11-Hydroxy-10-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyloxy]-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-4-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/81d37fe0-855a-11ee-8cb2-731952651f88.jpg "2D Structure of 11-Hydroxy-10-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyloxy]-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-4-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 | 99.49% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.32% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.90% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.32% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.39% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.89% | 92.94% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.75% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.40% | 94.45% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 91.35% | 92.98% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.17% | 91.19% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.80% | 95.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.12% | 91.07% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.81% | 91.03% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.71% | 89.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.33% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.28% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 84.27% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.25% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.67% | 89.62% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.30% | 91.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.86% | 98.75% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.16% | 97.33% |
| CHEMBL5028 | O14672 | ADAM10 | 80.77% | 97.50% |
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.
| Diospyros dendo |
| PubChem | 163010664 |
| LOTUS | LTS0072353 |
| wikiData | Q105384363 |