[15-Acetyloxy-16-[1-hydroxy-1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4,10-tetraen-18-yl] acetate
| Internal ID | 7b872464-c12c-45af-8bf8-da7836ce2f13 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | [15-acetyloxy-16-[1-hydroxy-1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4,10-tetraen-18-yl] acetate |
| SMILES (Canonical) | CC1=CCC(OC1=O)C(C)(C2C(CC3(C2(C(CC4=C3C=CC5C(=C4)C=CC(=O)OC5(C)C)OC(=O)C)C)C)OC(=O)C)O |
| SMILES (Isomeric) | CC1=CCC(OC1=O)C(C)(C2C(CC3(C2(C(CC4=C3C=CC5C(=C4)C=CC(=O)OC5(C)C)OC(=O)C)C)C)OC(=O)C)O |
| InChI | InChI=1S/C34H42O9/c1-18-9-13-26(42-30(18)38)34(8,39)29-25(40-19(2)35)17-32(6)24-12-11-23-21(10-14-28(37)43-31(23,4)5)15-22(24)16-27(33(29,32)7)41-20(3)36/h9-12,14-15,23,25-27,29,39H,13,16-17H2,1-8H3 |
| InChI Key | OZGJHTKUIUKNKQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H42O9 |
| Molecular Weight | 594.70 g/mol |
| Exact Mass | 594.28288291 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of [15-Acetyloxy-16-[1-hydroxy-1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4,10-tetraen-18-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6d5651f0-873d-11ee-866e-039384a6178e.jpg "2D Structure of [15-Acetyloxy-16-[1-hydroxy-1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4,10-tetraen-18-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 | 99.03% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.30% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.10% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.14% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.97% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.70% | 97.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.63% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.30% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.41% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.50% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.83% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.78% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.39% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.76% | 95.89% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.67% | 90.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.55% | 94.45% |
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.
| Kadsura heteroclita |
| PubChem | 162877686 |
| LOTUS | LTS0098216 |
| wikiData | Q105203777 |