(3Z,5S)-5-hydroxy-4-(4-hydroxyphenyl)-9-methoxy-5,6-dihydro-1-benzoxocin-2-one
| Internal ID | 21c2e60e-a275-42aa-b50b-b75dfd5f9f8f |
| Taxonomy | Organoheterocyclic compounds > Oxocins |
| IUPAC Name | (3Z,5S)-5-hydroxy-4-(4-hydroxyphenyl)-9-methoxy-5,6-dihydro-1-benzoxocin-2-one |
| SMILES (Canonical) | COC1=CC2=C(CC(C(=CC(=O)O2)C3=CC=C(C=C3)O)O)C=C1 |
| SMILES (Isomeric) | COC1=CC2=C(C[C@@H](/C(=C\C(=O)O2)/C3=CC=C(C=C3)O)O)C=C1 |
| InChI | InChI=1S/C18H16O5/c1-22-14-7-4-12-8-16(20)15(10-18(21)23-17(12)9-14)11-2-5-13(19)6-3-11/h2-7,9-10,16,19-20H,8H2,1H3/b15-10-/t16-/m0/s1 |
| InChI Key | NNKBWPSPOJTUBL-IZNAZMGOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H16O5 |
| Molecular Weight | 312.30 g/mol |
| Exact Mass | 312.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
| 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 | 98.17% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.61% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.21% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.84% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.80% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.26% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.11% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.76% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.68% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.30% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.86% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.42% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.93% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.62% | 90.71% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 83.78% | 88.48% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.06% | 90.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.94% | 95.78% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.51% | 93.31% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 82.40% | 97.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.73% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.76% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.42% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.04% | 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.
| Styphnolobium japonicum |
| PubChem | 163191191 |
| LOTUS | LTS0156816 |
| wikiData | Q105182181 |