Palmaerone C
| Internal ID | c6e1f95b-39cb-4e56-88bf-06e16b6032a4 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | (3R)-7-bromo-6,8-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one |
| SMILES (Canonical) | CC1CC2=CC(=C(C(=C2C(=O)O1)OC)Br)OC |
| SMILES (Isomeric) | C[C@@H]1CC2=CC(=C(C(=C2C(=O)O1)OC)Br)OC |
| InChI | InChI=1S/C12H13BrO4/c1-6-4-7-5-8(15-2)10(13)11(16-3)9(7)12(14)17-6/h5-6H,4H2,1-3H3/t6-/m1/s1 |
| InChI Key | ZCKXTYZQQWIKEA-ZCFIWIBFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C12H13BrO4 |
| Molecular Weight | 301.13 g/mol |
| Exact Mass | 299.99972 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 2.90 |
| 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 | 95.80% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.10% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.96% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.77% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.04% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.91% | 97.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.33% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.25% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.18% | 91.07% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.66% | 93.99% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.26% | 82.38% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.78% | 94.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.06% | 89.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.98% | 96.00% |
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 | 139590925 |
| LOTUS | LTS0135587 |
| wikiData | Q105371224 |