7-Methoxy-8-[2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one
| Internal ID | 8e656409-2a25-47a5-8d7b-e8878da35d6a |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-methoxy-8-[2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one |
| SMILES (Canonical) | CC1=CC(C(CC1)(C)C=CC2=C(C=CC3=C2OC(=O)C=C3)OC)C4=C(C=C5C(=C4)C=CC(=O)O5)OC |
| SMILES (Isomeric) | CC1=CC(C(CC1)(C)C=CC2=C(C=CC3=C2OC(=O)C=C3)OC)C4=C(C=C5C(=C4)C=CC(=O)O5)OC |
| InChI | InChI=1S/C30H28O6/c1-18-11-13-30(2,14-12-21-24(33-3)8-5-19-6-9-28(32)36-29(19)21)23(15-18)22-16-20-7-10-27(31)35-25(20)17-26(22)34-4/h5-10,12,14-17,23H,11,13H2,1-4H3 |
| InChI Key | PDEFOFDPLZJLEW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H28O6 |
| Molecular Weight | 484.50 g/mol |
| Exact Mass | 484.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of 7-Methoxy-8-[2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-methoxy-8-2-2-7-methoxy-2-oxochromen-6-yl-14-dimethylcyclohex-3-en-1-ylethenylchromen-2-one.jpg "2D Structure of 7-Methoxy-8-[2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.46% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.63% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.38% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.00% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.97% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.18% | 99.23% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 86.66% | 98.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.81% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.59% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.58% | 89.62% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.57% | 85.30% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.75% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.01% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.76% | 96.90% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.31% | 97.33% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.28% | 95.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.04% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.01% | 95.89% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.61% | 92.38% |
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.
| Citrus × aurantium |
| PubChem | 163011852 |
| LOTUS | LTS0221802 |
| wikiData | Q105206365 |