6,8-Dimethoxy-7-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]chromen-2-one
| Internal ID | f35875e3-5d81-43b5-bfc2-16d7fbc4b810 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 6,8-dimethoxy-7-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]chromen-2-one |
| SMILES (Canonical) | CC(=CCCC1(C(O1)COC2=C(C=C3C=CC(=O)OC3=C2OC)OC)C)C |
| SMILES (Isomeric) | CC(=CCCC1(C(O1)COC2=C(C=C3C=CC(=O)OC3=C2OC)OC)C)C |
| InChI | InChI=1S/C21H26O6/c1-13(2)7-6-10-21(3)16(27-21)12-25-19-15(23-4)11-14-8-9-17(22)26-18(14)20(19)24-5/h7-9,11,16H,6,10,12H2,1-5H3 |
| InChI Key | NHOWWFCRJNLVNU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O6 |
| Molecular Weight | 374.40 g/mol |
| Exact Mass | 374.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 66.50 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 6,8-Dimethoxy-7-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/07/altissimacoumarin-b.jpg "2D Structure of 6,8-Dimethoxy-7-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-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 | 99.11% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.84% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.60% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.04% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.44% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.10% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.87% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.62% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.03% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.44% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.26% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.12% | 96.09% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 86.95% | 95.83% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.86% | 96.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 85.55% | 94.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.28% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.25% | 98.95% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.16% | 85.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.53% | 92.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.49% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.36% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.18% | 98.75% |
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.
| Ailanthus altissima |
| PubChem | 101741713 |
| NPASS | NPC115929 |
| LOTUS | LTS0177854 |
| wikiData | Q105179522 |