3-[(2S,3R,4S)-3,4-dihydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-6-yl]-5,7-dihydroxychromen-4-one
| Internal ID | a9427d5a-fd41-4d1f-adf6-bf5ad7dbcbf1 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids |
| IUPAC Name | 3-[(2S,3R,4S)-3,4-dihydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-6-yl]-5,7-dihydroxychromen-4-one |
| SMILES (Canonical) | CC(=CCCC1(C(C(C2=C(O1)C=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O)O)C)C |
| SMILES (Isomeric) | CC(=CCC[C@]1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O)O)C)C |
| InChI | InChI=1S/C25H26O7/c1-13(2)5-4-8-25(3)24(30)23(29)16-9-14(6-7-19(16)32-25)17-12-31-20-11-15(26)10-18(27)21(20)22(17)28/h5-7,9-12,23-24,26-27,29-30H,4,8H2,1-3H3/t23-,24+,25-/m0/s1 |
| InChI Key | DWPNEVWBBSMKOI-GVAUOCQISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O7 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 3-[(2S,3R,4S)-3,4-dihydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-6-yl]-5,7-dihydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/95c8d750-8592-11ee-bafb-9f64176e0012.jpg "2D Structure of 3-[(2S,3R,4S)-3,4-dihydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-6-yl]-5,7-dihydroxychromen-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.40% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.31% | 91.11% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 97.03% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.76% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.80% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.88% | 94.45% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 91.48% | 91.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.47% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.69% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 89.51% | 89.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.88% | 95.56% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.78% | 97.28% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.88% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.93% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.88% | 90.71% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.72% | 93.10% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.93% | 99.17% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.44% | 95.71% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.33% | 95.53% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.39% | 96.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.21% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.11% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.94% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.43% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.20% | 95.89% |
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.
| Campylotropis hirtella |
| PubChem | 44226999 |
| LOTUS | LTS0006750 |
| wikiData | Q104990679 |