3,11-Dihydroxy-13-methoxy-5-methyl-19-oxapentacyclo[8.8.1.01,10.02,7.012,17]nonadeca-2(7),3,5,8,12(17),13,15-heptaen-18-one
| Internal ID | 2f975378-cc42-4bd1-a68f-3de17c1d7ba3 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | 3,11-dihydroxy-13-methoxy-5-methyl-19-oxapentacyclo[8.8.1.01,10.02,7.012,17]nonadeca-2(7),3,5,8,12(17),13,15-heptaen-18-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H16O5/c1-10-8-11-6-7-19-18(23)15-12(4-3-5-14(15)24-2)17(22)20(19,25-19)16(11)13(21)9-10/h3-9,18,21,23H,1-2H3 |
| InChI Key | NIKHTFZKPZYDHT-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H16O5 |
| Molecular Weight | 336.30 g/mol |
| Exact Mass | 336.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 79.30 Ų |
| XlogP | 2.00 |
| CHEBI:226326 |
| 3,11-dihydroxy-13-methoxy-5-methyl-19-oxapentacyclo[8.8.1.01,10.02,7.012,17]nonadeca-2(7),3,5,8,12(17),13,15-heptaen-18-one |
![2D Structure of 3,11-Dihydroxy-13-methoxy-5-methyl-19-oxapentacyclo[8.8.1.01,10.02,7.012,17]nonadeca-2(7),3,5,8,12(17),13,15-heptaen-18-one](https://plantaedb.com/storage/docs/compounds/2023/11/be6c9b00-8546-11ee-ba95-113daf96d7ef.jpg "2D Structure of 3,11-Dihydroxy-13-methoxy-5-methyl-19-oxapentacyclo[8.8.1.01,10.02,7.012,17]nonadeca-2(7),3,5,8,12(17),13,15-heptaen-18-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.12% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.23% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.75% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.47% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.30% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.78% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.11% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.82% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.83% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.83% | 98.75% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 89.78% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.00% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.83% | 99.15% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 84.77% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.99% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.46% | 97.14% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.03% | 94.03% |
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.
| There are no matching plants. |
| PubChem | 124116234 |
| LOTUS | LTS0201031 |
| wikiData | Q105179868 |