[20-Hydroxy-9,9,14,18-tetramethyl-17-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-7-oxo-3,8-dioxapentacyclo[11.7.0.02,4.04,10.014,18]icosa-1(13),5-dien-15-yl] acetate
| Internal ID | 01ddb883-b8d1-4eaa-8a06-099a453946f0 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | [20-hydroxy-9,9,14,18-tetramethyl-17-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-7-oxo-3,8-dioxapentacyclo[11.7.0.02,4.04,10.014,18]icosa-1(13),5-dien-15-yl] acetate |
| SMILES (Canonical) | CC1=CCC(OC1=O)C(C)C2CC(C3(C2(CC(C4=C3CCC5C(OC(=O)C=CC56C4O6)(C)C)O)C)C)OC(=O)C |
| SMILES (Isomeric) | CC1=CCC(OC1=O)C(C)C2CC(C3(C2(CC(C4=C3CCC5C(OC(=O)C=CC56C4O6)(C)C)O)C)C)OC(=O)C |
| InChI | InChI=1S/C32H42O8/c1-16-8-10-22(38-28(16)36)17(2)20-14-24(37-18(3)33)31(7)19-9-11-23-29(4,5)39-25(35)12-13-32(23)27(40-32)26(19)21(34)15-30(20,31)6/h8,12-13,17,20-24,27,34H,9-11,14-15H2,1-7H3 |
| InChI Key | KRDFFNXFJUTIID-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H42O8 |
| Molecular Weight | 554.70 g/mol |
| Exact Mass | 554.28796829 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of [20-Hydroxy-9,9,14,18-tetramethyl-17-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-7-oxo-3,8-dioxapentacyclo[11.7.0.02,4.04,10.014,18]icosa-1(13),5-dien-15-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/9dcfe520-84cb-11ee-a2a8-b74c16d5e72e.jpg "2D Structure of [20-Hydroxy-9,9,14,18-tetramethyl-17-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-7-oxo-3,8-dioxapentacyclo[11.7.0.02,4.04,10.014,18]icosa-1(13),5-dien-15-yl] acetate")
| 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 | 98.28% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.95% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.13% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.78% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.75% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.64% | 91.07% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.03% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.55% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.92% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.29% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.14% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.70% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.43% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.24% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.11% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.04% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.91% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.63% | 95.89% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.22% | 94.08% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.01% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.83% | 94.73% |
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.
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| There are no matching plants. |
| PubChem | 162868973 |
| LOTUS | LTS0187538 |
| wikiData | Q104170543 |