2-[2-(3,7-Dimethylocta-2,6-dienyl)-3,4-dihydroxyphenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
| Internal ID | 228ce8fb-d116-43eb-bb5d-8499b84c4d82 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 2-prenylated flavones |
| IUPAC Name | 2-[2-(3,7-dimethylocta-2,6-dienyl)-3,4-dihydroxyphenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)chromen-4-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)C)C |
| InChI | InChI=1S/C30H34O7/c1-16(2)7-6-8-18(5)10-12-19-20(13-14-22(31)26(19)34)30-28(36)27(35)25-24(33)15-23(32)21(29(25)37-30)11-9-17(3)4/h7,9-10,13-15,31-34,36H,6,8,11-12H2,1-5H3 |
| InChI Key | MQNQGTVUMGNSEG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H34O7 |
| Molecular Weight | 506.60 g/mol |
| Exact Mass | 506.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 7.90 |
| There are no found synonyms. |
![2D Structure of 2-[2-(3,7-Dimethylocta-2,6-dienyl)-3,4-dihydroxyphenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/a58e9aa0-8671-11ee-9b2f-7b05fd759ff4.jpg "2D Structure of 2-[2-(3,7-Dimethylocta-2,6-dienyl)-3,4-dihydroxyphenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)chromen-4-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 | 99.73% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.34% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.14% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 96.42% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.02% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.15% | 89.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 88.61% | 85.30% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.46% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.95% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.53% | 99.15% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.32% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.47% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.93% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.66% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.56% | 90.00% |
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.
| Morus notabilis |
| PubChem | 76024748 |
| LOTUS | LTS0147568 |
| wikiData | Q105170132 |