(2S)-5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
| Internal ID | ca02ea7d-0968-4d1c-8ae9-fc255a5446ae |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (2S)-5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC4=C(C(=C3)O)OC(C=C4)(C)C)CC=C(C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=CC4=C(C(=C3)O)OC(C=C4)(C)C)CC=C(C)C)O)C |
| InChI | InChI=1S/C30H34O6/c1-16(2)7-9-20-26(33)21(10-8-17(3)4)29-25(27(20)34)22(31)15-24(35-29)19-13-18-11-12-30(5,6)36-28(18)23(32)14-19/h7-8,11-14,24,32-34H,9-10,15H2,1-6H3/t24-/m0/s1 |
| InChI Key | XESZEJDJGPNKIH-DEOSSOPVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H34O6 |
| Molecular Weight | 490.60 g/mol |
| Exact Mass | 490.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 7.20 |
| There are no found synonyms. |
| 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 | 99.82% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.94% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.52% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.92% | 91.49% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.12% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.74% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.37% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.58% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.43% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.65% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.29% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.18% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.64% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.53% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.15% | 90.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.69% | 93.40% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.68% | 80.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.54% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.46% | 99.23% |
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.
| Amorpha fruticosa |
| PubChem | 163060314 |
| LOTUS | LTS0244815 |
| wikiData | Q105326596 |