5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-3H-pyrano[3,2-g]chromene-4,8-dione
| Internal ID | b951270c-6d30-4f0b-8e68-385ddac90647 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Pyranocoumarins > Linear pyranocoumarins |
| IUPAC Name | 5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-3H-pyrano[3,2-g]chromene-4,8-dione |
| SMILES (Canonical) | CC1(CC(=O)C2=C(O1)C(=C3C(=C2O)C=C(C(=O)O3)C(C)(C)C=C)C(C)(C)C=C)C |
| SMILES (Isomeric) | CC1(CC(=O)C2=C(O1)C(=C3C(=C2O)C=C(C(=O)O3)C(C)(C)C=C)C(C)(C)C=C)C |
| InChI | InChI=1S/C24H28O5/c1-9-22(3,4)14-11-13-18(26)16-15(25)12-24(7,8)29-20(16)17(23(5,6)10-2)19(13)28-21(14)27/h9-11,26H,1-2,12H2,3-8H3 |
| InChI Key | NMVOQBXMPKNNCL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H28O5 |
| Molecular Weight | 396.50 g/mol |
| Exact Mass | 396.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of 5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-3H-pyrano[3,2-g]chromene-4,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxy-22-dimethyl-710-bis2-methylbut-3-en-2-yl-3h-pyrano32-gchromene-48-dione.jpg "2D Structure of 5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-3H-pyrano[3,2-g]chromene-4,8-dione")
| 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 | 99.70% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.73% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.48% | 95.56% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 93.30% | 85.30% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.28% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.52% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.90% | 89.34% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.07% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.50% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.17% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.05% | 99.23% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 84.90% | 98.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.45% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.37% | 94.00% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 81.43% | 88.84% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.06% | 95.89% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.39% | 98.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.28% | 96.21% |
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 |
| Clausena excavata |
| Felicia filifolia |
| PubChem | 102446086 |
| LOTUS | LTS0123646 |
| wikiData | Q105293161 |