Pinobatol
| Internal ID | 764617ed-dea4-44a1-887e-5bee7639111e |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | 1-[2-hydroxy-1-[4-(3-hydroxypropyl)-2-methoxyphenoxy]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7-methoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)CCCO)OC(CO)C2C3(C=CC(=O)C(=C3)OC)C(C(O2)C4=CC(=C(C=C4)O)OC)CO |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)CCCO)OC(CO)C2C3(C=CC(=O)C(=C3)OC)C(C(O2)C4=CC(=C(C=C4)O)OC)CO |
| InChI | InChI=1S/C30H36O10/c1-36-24-14-19(7-8-21(24)34)28-20(16-32)30(11-10-22(35)26(15-30)38-3)29(40-28)27(17-33)39-23-9-6-18(5-4-12-31)13-25(23)37-2/h6-11,13-15,20,27-29,31-34H,4-5,12,16-17H2,1-3H3 |
| InChI Key | SZQZJNSCXOAEEV-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H36O10 |
| Molecular Weight | 556.60 g/mol |
| Exact Mass | 556.23084734 g/mol |
| Topological Polar Surface Area (TPSA) | 144.00 Ų |
| XlogP | 2.40 |
| 945468-41-7 |
| 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 | 99.07% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.34% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.13% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.41% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.64% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.29% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.92% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.67% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.54% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.07% | 95.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 91.61% | 92.88% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.92% | 86.92% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.63% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.02% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.67% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.65% | 94.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.56% | 90.20% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.03% | 95.50% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 84.18% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.68% | 89.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.13% | 93.18% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.43% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.36% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.21% | 96.95% |
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.
| Pinus sylvestris |
| PubChem | 138112792 |
| LOTUS | LTS0210262 |
| wikiData | Q105264354 |