(2S)-2-(3,4-dimethoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
| Internal ID | 69f6fa2b-a0dd-49a3-a694-a997126152a8 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (2S)-2-(3,4-dimethoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC1(CCC2=C(O1)C=CC3=C2OC(CC3=O)C4=CC(=C(C=C4)OC)OC)C |
| SMILES (Isomeric) | CC1(CCC2=C(O1)C=CC3=C2O[C@@H](CC3=O)C4=CC(=C(C=C4)OC)OC)C |
| InChI | InChI=1S/C22H24O5/c1-22(2)10-9-15-17(27-22)8-6-14-16(23)12-19(26-21(14)15)13-5-7-18(24-3)20(11-13)25-4/h5-8,11,19H,9-10,12H2,1-4H3/t19-/m0/s1 |
| InChI Key | ZVBSFMQVRAVTJW-IBGZPJMESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O5 |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of (2S)-2-(3,4-dimethoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-34-dimethoxyphenyl-88-dimethyl-23910-tetrahydropyrano23-hchromen-4-one.jpg "2D Structure of (2S)-2-(3,4-dimethoxyphenyl)-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.71% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.69% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.29% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.15% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.20% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.90% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.78% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.14% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.85% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.61% | 97.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.82% | 92.94% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.37% | 89.50% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.22% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.75% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.71% | 94.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 85.66% | 97.50% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.18% | 95.78% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.90% | 93.40% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 83.00% | 96.86% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 82.88% | 92.38% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 81.80% | 85.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.48% | 100.00% |
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.
| Pongamia pinnata |
| PubChem | 162862446 |
| LOTUS | LTS0247777 |
| wikiData | Q105384210 |