Ammonificin C
| Internal ID | abe2cc2f-e01d-4c1d-8e8b-c73908c18e03 |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Neoflavenes |
| IUPAC Name | 8-[(1R)-2-amino-1-hydroxyethyl]-4-(3-bromo-4-hydroxyphenyl)-3-(3-hydroxyphenoxy)-2H-chromen-5-ol |
| SMILES (Canonical) | C1C(=C(C2=C(C=CC(=C2O1)C(CN)O)O)C3=CC(=C(C=C3)O)Br)OC4=CC=CC(=C4)O |
| SMILES (Isomeric) | C1C(=C(C2=C(C=CC(=C2O1)[C@H](CN)O)O)C3=CC(=C(C=C3)O)Br)OC4=CC=CC(=C4)O |
| InChI | InChI=1S/C23H20BrNO6/c24-16-8-12(4-6-17(16)27)21-20(31-14-3-1-2-13(26)9-14)11-30-23-15(19(29)10-25)5-7-18(28)22(21)23/h1-9,19,26-29H,10-11,25H2/t19-/m0/s1 |
| InChI Key | BGHUTHSYQCTHLF-IBGZPJMESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H20BrNO6 |
| Molecular Weight | 486.30 g/mol |
| Exact Mass | 485.04740 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 2.50 |
| 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 | 98.97% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 98.34% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.18% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.60% | 96.09% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 94.99% | 97.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.46% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.33% | 95.56% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 92.10% | 96.12% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.05% | 97.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.44% | 98.35% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.45% | 95.17% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 90.10% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.96% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.76% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.84% | 86.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.50% | 93.31% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.09% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 86.64% | 93.18% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.77% | 99.17% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.89% | 92.88% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 83.89% | 82.86% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.32% | 95.78% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.24% | 95.93% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.05% | 93.40% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.84% | 83.10% |
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.
| There are no matching plants. |
| PubChem | 139583443 |
| LOTUS | LTS0203768 |
| wikiData | Q75062617 |