4-[(7S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol
| Internal ID | 0be89885-6973-49cc-8d4b-d99c90ca0b6a |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanols |
| IUPAC Name | 4-[(7S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H28O4/c1-15(2)5-7-21-23-17(11-16-9-10-25(3,4)29-24(16)21)12-18(14-28-23)20-8-6-19(26)13-22(20)27/h5-6,8-11,13,18,26-27H,7,12,14H2,1-4H3/t18-/m1/s1 |
| InChI Key | FRNITGUDUCDNOE-GOSISDBHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H28O4 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of 4-[(7S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/8a260be0-8584-11ee-b9c3-61f5ed789e9d.jpg "2D Structure of 4-[(7S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol")
| 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 | 99.30% | 91.11% |
| CHEMBL236 | P41143 | Delta opioid receptor | 96.47% | 99.35% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.35% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.44% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.22% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.86% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 94.77% | 97.93% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.48% | 93.40% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.39% | 95.93% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.39% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.30% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.55% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.77% | 95.89% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.93% | 93.10% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.24% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.22% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.32% | 94.73% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.17% | 91.38% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.78% | 85.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.61% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.35% | 97.09% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 82.03% | 99.09% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.71% | 96.39% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.55% | 100.00% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 81.32% | 96.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.45% | 94.75% |
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.
| Erythrina zeyheri |
| PubChem | 162891690 |
| LOTUS | LTS0134885 |
| wikiData | Q105000308 |