2-[2,2-Dimethyl-8-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
| Internal ID | f6b19174-d76b-47e9-bc4e-4807928dac6e |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | 2-[2,2-dimethyl-8-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=CC(=CC2=C1OC(CC2)(C)C)C3CC(=O)C4=C(O3)C5=C(C=C4)OC(CC5)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=CC(=CC2=C1OC(CC2)(C)C)C3CC(=O)C4=C(O3)C5=C(C=C4)OC(CC5)(C)C)C |
| InChI | InChI=1S/C30H36O4/c1-18(2)7-8-19-15-21(16-20-11-13-30(5,6)34-27(19)20)26-17-24(31)22-9-10-25-23(28(22)32-26)12-14-29(3,4)33-25/h7,9-10,15-16,26H,8,11-14,17H2,1-6H3 |
| InChI Key | ZEQDKNXZIPLWAT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H36O4 |
| Molecular Weight | 460.60 g/mol |
| Exact Mass | 460.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of 2-[2,2-Dimethyl-8-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/19047ed0-8563-11ee-bff0-bf048e43dc55.jpg "2D Structure of 2-[2,2-Dimethyl-8-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-8,8-dimethyl-2,3,9,10-tetrahydropyrano[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 | 99.34% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.21% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.07% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.84% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.33% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.30% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.60% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.92% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.29% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.17% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.46% | 90.17% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.35% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.17% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.84% | 89.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.30% | 89.50% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 85.13% | 97.50% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.90% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.24% | 94.73% |
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.
| Sophora tonkinensis |
| PubChem | 72994627 |
| LOTUS | LTS0187831 |
| wikiData | Q105373514 |