Maingayone
| Internal ID | 56dfbb60-5bd9-4425-9803-189fd158e030 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylmethanes |
| IUPAC Name | 9-(3,4-dihydroxyphenyl)-1-[3-[1-(2,6-dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)nonyl]-2,6-dihydroxyphenyl]nonan-1-one |
| SMILES (Canonical) | C1=CC(=C(C(=C1)O)C(CCCCCCCCC2=CC(=C(C=C2)O)O)C3=C(C(=C(C=C3)O)C(=O)CCCCCCCCC4=CC(=C(C=C4)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C(=C1)O)C(CCCCCCCCC2=CC(=C(C=C2)O)O)C3=C(C(=C(C=C3)O)C(=O)CCCCCCCCC4=CC(=C(C=C4)O)O)O)O |
| InChI | InChI=1S/C42H52O9/c43-32-23-20-28(26-38(32)49)14-9-5-1-3-7-11-16-30(40-34(45)18-13-19-35(40)46)31-22-25-37(48)41(42(31)51)36(47)17-12-8-4-2-6-10-15-29-21-24-33(44)39(50)27-29/h13,18-27,30,43-46,48-51H,1-12,14-17H2 |
| InChI Key | WZPJUCRWKNGODO-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C42H52O9 |
| Molecular Weight | 700.90 g/mol |
| Exact Mass | 700.36113323 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | 11.70 |
| Maingayone |
| BDBM50182489 |
| FS-8542 |
| 271585-66-1 |
| 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 | 98.07% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.63% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 97.59% | 95.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.44% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.18% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.33% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.11% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.48% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.00% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.76% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.14% | 90.20% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.53% | 94.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.99% | 93.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.91% | 95.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.44% | 100.00% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.62% | 96.37% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.93% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.63% | 93.99% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 80.06% | 93.81% |
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.
| Myristica gigantea |
| Myristica maingayi |
| PubChem | 10439720 |
| LOTUS | LTS0050444 |
| wikiData | Q105246526 |