(R)-6',7'-Dihydroxybergamottin
| Internal ID | 37d86955-2929-44a6-b012-405e67ccca2f |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens |
| IUPAC Name | 4-(6,7-dihydroxy-3,7-dimethyloct-2-enoxy)furo[3,2-g]chromen-7-one |
| SMILES (Canonical) | CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CCC(C(C)(C)O)O |
| SMILES (Isomeric) | CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CCC(C(C)(C)O)O |
| InChI | InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3 |
| InChI Key | IXZUPBUEKFXTSD-UHFFFAOYSA-N |
| Popularity | 31 references in papers |
| Molecular Formula | C21H24O6 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 89.10 Ų |
| XlogP | 3.40 |
| (R)-6',7'-Dihydroxybergamottin |
| DTXSID901045472 |
| 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[(2E,6R)-6,7-dihydroxy-3,7-dimethyl-2-octenyl]oxy]- (9CI); 4-[[(2E,6R)-6,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one; (R)-17,18-Dihydroxybergamottin |
| FT-0667084 |
| 5-[(6',7'-Dihydroxy-3',7'-dimethyl-2-octenyl)oxy]psoralen |
| 4-(6,7-dihydroxy-3,7-dimethyloct-2-enoxy)furo[3,2-g]chromen-7-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 | 98.42% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.63% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.92% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.24% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.78% | 99.17% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 92.97% | 92.51% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.23% | 94.45% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 90.55% | 94.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.94% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.91% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.79% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.97% | 89.34% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.44% | 96.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.90% | 93.65% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.70% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.69% | 86.33% |
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 | 156147 |
| LOTUS | LTS0119546 |
| wikiData | Q3599478 |