2-[3,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one
| Internal ID | dfe2e307-7ddd-40a0-8470-8a20a57ecafd |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 6-prenylated flavans > 6-prenylated flavanones |
| IUPAC Name | 2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(O2)C4=C(C(=C3O)CC=C(C)C)OC(C=C4)(C)C)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(O2)C4=C(C(=C3O)CC=C(C)C)OC(C=C4)(C)C)O)O)C |
| InChI | InChI=1S/C30H34O6/c1-16(2)7-9-18-13-19(14-23(32)26(18)33)24-15-22(31)25-27(34)20(10-8-17(3)4)28-21(29(25)35-24)11-12-30(5,6)36-28/h7-8,11-14,24,32-34H,9-10,15H2,1-6H3 |
| InChI Key | ZXOMCEYZUCIRAM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H34O6 |
| Molecular Weight | 490.60 g/mol |
| Exact Mass | 490.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 7.20 |
| There are no found synonyms. |
![2D Structure of 2-[3,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/0ca93070-85e2-11ee-9f20-6f8aa5537bcf.jpg "2D Structure of 2-[3,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]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 | 99.92% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.49% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.33% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.87% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.86% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.69% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.66% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.37% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.48% | 98.95% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 90.27% | 80.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.39% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.27% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.04% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.89% | 90.71% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 84.66% | 91.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.14% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.58% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.55% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.37% | 92.62% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.31% | 95.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.14% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.72% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.32% | 91.19% |
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.
| Amorpha fruticosa |
| PubChem | 14187656 |
| LOTUS | LTS0149338 |
| wikiData | Q105385653 |