(3Z,5S)-5,9-dihydroxy-4-(4-hydroxyphenyl)-5,6-dihydro-1-benzoxocin-2-one
| Internal ID | c18f2a2a-a5c1-4201-9509-0de0245c3b38 |
| Taxonomy | Organoheterocyclic compounds > Oxocins |
| IUPAC Name | (3Z,5S)-5,9-dihydroxy-4-(4-hydroxyphenyl)-5,6-dihydro-1-benzoxocin-2-one |
| SMILES (Canonical) | C1C(C(=CC(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O)O |
| SMILES (Isomeric) | C1[C@@H](/C(=C\C(=O)OC2=C1C=CC(=C2)O)/C3=CC=C(C=C3)O)O |
| InChI | InChI=1S/C17H14O5/c18-12-4-1-10(2-5-12)14-9-17(21)22-16-8-13(19)6-3-11(16)7-15(14)20/h1-6,8-9,15,18-20H,7H2/b14-9-/t15-/m0/s1 |
| InChI Key | WRIXGOHFTHKWMM-MZLJFPOFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H14O5 |
| Molecular Weight | 298.29 g/mol |
| Exact Mass | 298.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 1.90 |
| CHEMBL1965250 |
| NSC-645992 |
| 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 | 96.77% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.31% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.62% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.21% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.40% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.99% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.46% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.36% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.58% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.05% | 94.45% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.00% | 95.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.75% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.26% | 95.89% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 83.17% | 97.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.00% | 97.09% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.08% | 95.78% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.83% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.21% | 96.09% |
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.
| Styphnolobium japonicum |
| PubChem | 5466955 |
| LOTUS | LTS0149625 |
| wikiData | Q105311332 |