8-chloro-6,7-dihydroxy-5-methoxy-2,2-dimethyl-5,6,7,8-tetrahydro-3H-chromen-4-one
| Internal ID | 6d3be3ac-f1e3-430a-8798-06984347f773 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans |
| IUPAC Name | 8-chloro-6,7-dihydroxy-5-methoxy-2,2-dimethyl-5,6,7,8-tetrahydro-3H-chromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H17ClO5/c1-12(2)4-5(14)6-10(18-12)7(13)8(15)9(16)11(6)17-3/h7-9,11,15-16H,4H2,1-3H3 |
| InChI Key | DEZSZDHQEFMIGP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H17ClO5 |
| Molecular Weight | 276.71 g/mol |
| Exact Mass | 276.0764513 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | -0.80 |
| 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 | 96.12% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.94% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.37% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.45% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.43% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.04% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.00% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.28% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.50% | 94.00% |
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.
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| There are no matching plants. |
| PubChem | 162866986 |
| LOTUS | LTS0121919 |
| wikiData | Q103818325 |