2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-5-methoxy-8,8-dimethyl-, (9R,10S)-rel-
| Internal ID | 288eade2-52c6-42bf-addc-537715494139 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Pyranocoumarins > Angular pyranocoumarins |
| IUPAC Name | (9R,10S)-9,10-dihydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one |
| SMILES (Canonical) | CC1(C(C(C2=C3C(=C(C=C2O1)OC)C=CC(=O)O3)O)O)C |
| SMILES (Isomeric) | CC1([C@@H]([C@H](C2=C3C(=C(C=C2O1)OC)C=CC(=O)O3)O)O)C |
| InChI | InChI=1S/C15H16O6/c1-15(2)14(18)12(17)11-9(21-15)6-8(19-3)7-4-5-10(16)20-13(7)11/h4-6,12,14,17-18H,1-3H3/t12-,14+/m0/s1 |
| InChI Key | RRUHFAXVNXSPNG-GXTWGEPZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H16O6 |
| Molecular Weight | 292.28 g/mol |
| Exact Mass | 292.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 0.80 |
| 119239-48-4 |
| 2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-5-methoxy-8,8-dimethyl-, (9R,10S)-rel- |
![2D Structure of 2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-5-methoxy-8,8-dimethyl-, (9R,10S)-rel-](https://plantaedb.com/storage/docs/compounds/2023/11/caf53710-85d7-11ee-bc48-edc822cc2765.jpg "2D Structure of 2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-5-methoxy-8,8-dimethyl-, (9R,10S)-rel-")
| 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 | 98.13% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.06% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.61% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.79% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.69% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.68% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.74% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.76% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.07% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.39% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.86% | 92.94% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.03% | 94.03% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.82% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.75% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.65% | 83.82% |
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 | 162954202 |
| LOTUS | LTS0197345 |
| wikiData | Q105244350 |