7,15-Dihydroxy-9,10-dimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-17-one
| Internal ID | c710dc16-8108-4d81-9ddb-b0785426b21f |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 7,15-dihydroxy-9,10-dimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-17-one |
| SMILES (Canonical) | COC1C2C3=C4C(=C2C5=C(C1OC)C(=CC=C5)O)CCC(=O)C4=C(C=C3)O |
| SMILES (Isomeric) | COC1C2C3=C4C(=C2C5=C(C1OC)C(=CC=C5)O)CCC(=O)C4=C(C=C3)O |
| InChI | InChI=1S/C22H20O5/c1-26-21-18-10(4-3-5-13(18)23)16-11-6-8-14(24)20-15(25)9-7-12(17(11)20)19(16)22(21)27-2/h3-5,7,9,19,21-23,25H,6,8H2,1-2H3 |
| InChI Key | DROORLDPDTXWFN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H20O5 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 7,15-Dihydroxy-9,10-dimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-17-one](https://plantaedb.com/storage/docs/compounds/2023/11/5f025ed0-8654-11ee-82cf-472260ba0f54.jpg "2D Structure of 7,15-Dihydroxy-9,10-dimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-17-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.42% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.22% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.10% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.82% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.41% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.10% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.28% | 91.49% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.47% | 93.03% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.25% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.61% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.07% | 86.33% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 83.87% | 91.73% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 83.69% | 91.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.27% | 97.09% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.05% | 91.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.04% | 92.88% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.07% | 92.62% |
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 | 23563820 |
| LOTUS | LTS0079560 |
| wikiData | Q103818665 |