4-[(7S)-5-methoxy-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol
| Internal ID | 93f09986-0a12-465f-a3d3-ff0e362a0b47 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 5-O-methylated isoflavonoids |
| IUPAC Name | 4-[(7S)-5-methoxy-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=C3C(=C2OC)CC(CO3)C4=C(C=C(C=C4)O)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=C3C(=C2OC)C[C@H](CO3)C4=C(C=C(C=C4)O)O)C |
| InChI | InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m1/s1 |
| InChI Key | FLKVRTIAGSMQLN-GFCCVEGCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H22O5 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 3.90 |
| 53734-74-0 |
![2D Structure of 4-[(7S)-5-methoxy-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4-7s-5-methoxy-22-dimethyl-78-dihydro-6h-pyrano32-gchromen-7-ylbenzene-13-diol.jpg "2D Structure of 4-[(7S)-5-methoxy-2,2-dimethyl-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 | 99.15% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.78% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.70% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.53% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.00% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.34% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.88% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.79% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.74% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.09% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.98% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.55% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.21% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.18% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.93% | 97.09% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.68% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.52% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.42% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.97% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.41% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.89% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.77% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.09% | 94.75% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.36% | 82.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.12% | 94.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 133561904 |
| LOTUS | LTS0096570 |
| wikiData | Q104997196 |