7-[(5-Hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)methoxy]chromen-2-one
| Internal ID | 6de725b6-35a0-40f3-a7db-0c67c8436309 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-[(5-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)methoxy]chromen-2-one |
| SMILES (Canonical) | CC1=CCC(C(C1COC2=CC3=C(C=C2)C=CC(=O)O3)(C)C)O |
| SMILES (Isomeric) | CC1=CCC(C(C1COC2=CC3=C(C=C2)C=CC(=O)O3)(C)C)O |
| InChI | InChI=1S/C19H22O4/c1-12-4-8-17(20)19(2,3)15(12)11-22-14-7-5-13-6-9-18(21)23-16(13)10-14/h4-7,9-10,15,17,20H,8,11H2,1-3H3 |
| InChI Key | FMQSWAKDOUHJDV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O4 |
| Molecular Weight | 314.40 g/mol |
| Exact Mass | 314.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 7-[(5-Hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)methoxy]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-5-hydroxy-266-trimethylcyclohex-2-en-1-ylmethoxychromen-2-one.jpg "2D Structure of 7-[(5-Hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)methoxy]chromen-2-one")
| 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 | 97.75% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.89% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.17% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.86% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.55% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.44% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.49% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.72% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.66% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.97% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.13% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.82% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.24% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.27% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.08% | 96.43% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.81% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.62% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.70% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.37% | 89.00% |
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.
| Cleome viscosa |
| Solidago spathulata |
| PubChem | 13965514 |
| LOTUS | LTS0157297 |
| wikiData | Q104997987 |