[(7S,10R,11S)-9,9-dimethyl-16-oxo-14-phenyl-5,8,13-trioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),3,14-tetraen-10-yl] acetate
| Internal ID | 176f3dd9-8e0f-4ba3-b075-bdbc678e73bc |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | [(7S,10R,11S)-9,9-dimethyl-16-oxo-14-phenyl-5,8,13-trioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),3,14-tetraen-10-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C2C(C3=C(C=CO3)C4=C2OC(=CC4=O)C5=CC=CC=C5)OC1(C)C |
| SMILES (Isomeric) | CC(=O)O[C@@H]1[C@@H]2[C@@H](C3=C(C=CO3)C4=C2OC(=CC4=O)C5=CC=CC=C5)OC1(C)C |
| InChI | InChI=1S/C23H20O6/c1-12(24)27-22-18-20-17(14-9-10-26-19(14)21(18)29-23(22,2)3)15(25)11-16(28-20)13-7-5-4-6-8-13/h4-11,18,21-22H,1-3H3/t18-,21-,22+/m0/s1 |
| InChI Key | LRKIXOZDMXDDBU-YUXAGFNASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H20O6 |
| Molecular Weight | 392.40 g/mol |
| Exact Mass | 392.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 75.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of [(7S,10R,11S)-9,9-dimethyl-16-oxo-14-phenyl-5,8,13-trioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),3,14-tetraen-10-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/56fc3cf0-8704-11ee-9fd2-3d031820ec3e.jpg "2D Structure of [(7S,10R,11S)-9,9-dimethyl-16-oxo-14-phenyl-5,8,13-trioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),3,14-tetraen-10-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 | 99.02% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.44% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.54% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.74% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.00% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.52% | 90.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.46% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.25% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.84% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.81% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.42% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.84% | 99.23% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 86.29% | 83.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.38% | 97.28% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.14% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.06% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.20% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.14% | 91.19% |
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 ebenum |
| Diospyros ferrea |
| Tephrosia hookeriana |
| PubChem | 162893780 |
| LOTUS | LTS0160769 |
| wikiData | Q104982420 |