Mesuagenin B
| Internal ID | 6bb4ec0a-5d9d-41e2-aa22-8aed114655c9 |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Prenylated neoflavonoids |
| IUPAC Name | 5-hydroxy-2-methyl-6-(2-methylbutanoyl)-2-(4-methylpent-3-enyl)-10-phenylpyrano[2,3-f]chromen-8-one |
| SMILES (Canonical) | CCC(C)C(=O)C1=C2C(=C3C(=C1O)C=CC(O3)(C)CCC=C(C)C)C(=CC(=O)O2)C4=CC=CC=C4 |
| SMILES (Isomeric) | CCC(C)C(=O)C1=C2C(=C3C(=C1O)C=CC(O3)(C)CCC=C(C)C)C(=CC(=O)O2)C4=CC=CC=C4 |
| InChI | InChI=1S/C30H32O5/c1-6-19(4)26(32)25-27(33)21-14-16-30(5,15-10-11-18(2)3)35-28(21)24-22(17-23(31)34-29(24)25)20-12-8-7-9-13-20/h7-9,11-14,16-17,19,33H,6,10,15H2,1-5H3 |
| InChI Key | GEYVIFNRNUBPHZ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H32O5 |
| Molecular Weight | 472.60 g/mol |
| Exact Mass | 472.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 7.20 |
| 5-hydroxy-2-methyl-6-(2-methylbutanoyl)-2-(4-methylpent-3-enyl)-10-phenylpyrano(2,3-f)chromen-8-one |
| 5-hydroxy-2-methyl-6-(2-methylbutanoyl)-2-(4-methylpent-3-enyl)-10-phenylpyrano[2,3-f]chromen-8-one |
| RefChem:156689 |
| CHEMBL1277588 |
| BDBM50330755 |
| 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 | 99.40% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.36% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.86% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.35% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.42% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.12% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.51% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.52% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.88% | 89.34% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.44% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.12% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.85% | 94.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.36% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.81% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.50% | 94.45% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 84.35% | 83.57% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.23% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.85% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.36% | 96.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.10% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.63% | 90.71% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.22% | 91.71% |
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.
| Kayea elegans |
| PubChem | 13917758 |
| NPASS | NPC469933 |
| ChEMBL | CHEMBL1277588 |
| LOTUS | LTS0102669 |
| wikiData | Q105007423 |