2H,6H-Benzo[1,2-b:5,4-b']dipyran-2-one, 7,8-dihydro-6,7-dihydroxy-8,8-dimethyl-
| Internal ID | 158b3ce2-36cf-4820-8d93-75fa3c094daf |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Pyranocoumarins > Linear pyranocoumarins |
| IUPAC Name | 3,4-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one |
| SMILES (Canonical) | CC1(C(C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O)C |
| SMILES (Isomeric) | CC1(C(C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O)C |
| InChI | InChI=1S/C14H14O5/c1-14(2)13(17)12(16)8-5-7-3-4-11(15)18-9(7)6-10(8)19-14/h3-6,12-13,16-17H,1-2H3 |
| InChI Key | SLXYBYCLCBXBFK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H14O5 |
| Molecular Weight | 262.26 g/mol |
| Exact Mass | 262.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 0.80 |
| DTXSID001135961 |
| 2H,6H-Benzo[1,2-b:5,4-b']dipyran-2-one, 7,8-dihydro-6,7-dihydroxy-8,8-dimethyl- |
| 27368-67-8 |
![2D Structure of 2H,6H-Benzo[1,2-b:5,4-b']dipyran-2-one, 7,8-dihydro-6,7-dihydroxy-8,8-dimethyl-](https://plantaedb.com/storage/docs/compounds/2023/11/2h6h-benzo12-b54-bdipyran-2-one-78-dihydro-67-dihydroxy-88-dimethyl-.jpg "2D Structure of 2H,6H-Benzo[1,2-b:5,4-b']dipyran-2-one, 7,8-dihydro-6,7-dihydroxy-8,8-dimethyl-")
| 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 | 96.91% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.02% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.29% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.35% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.09% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.53% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.11% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.05% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.56% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.53% | 94.00% |
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.
| Citrus × aurantium |
| PubChem | 9834990 |
| LOTUS | LTS0262722 |
| wikiData | Q104197419 |