4-[(3R,8S)-8-(hydroxymethyl)-8-methyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
| Internal ID | c643a232-25be-424d-aa5b-7c108134e350 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids |
| IUPAC Name | 4-[(3R,8S)-8-(hydroxymethyl)-8-methyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C=C(C=C4)O)O)CO |
| SMILES (Isomeric) | C[C@]1(C=CC2=C(O1)C=CC3=C2OC[C@H](C3)C4=C(C=C(C=C4)O)O)CO |
| InChI | InChI=1S/C20H20O5/c1-20(11-21)7-6-16-18(25-20)5-2-12-8-13(10-24-19(12)16)15-4-3-14(22)9-17(15)23/h2-7,9,13,21-23H,8,10-11H2,1H3/t13-,20-/m0/s1 |
| InChI Key | UPOWHKWYGHUXCY-RBZFPXEDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O5 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 4-[(3R,8S)-8-(hydroxymethyl)-8-methyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4-3r8s-8-hydroxymethyl-8-methyl-34-dihydro-2h-pyrano23-fchromen-3-ylbenzene-13-diol.jpg "2D Structure of 4-[(3R,8S)-8-(hydroxymethyl)-8-methyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-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 | 98.43% | 91.11% |
| CHEMBL236 | P41143 | Delta opioid receptor | 98.14% | 99.35% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.88% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.39% | 98.95% |
| CHEMBL240 | Q12809 | HERG | 97.33% | 89.76% |
| CHEMBL233 | P35372 | Mu opioid receptor | 95.48% | 97.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.10% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.48% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.39% | 86.33% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 91.55% | 95.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.79% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.63% | 100.00% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 89.33% | 96.69% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.07% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.83% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.05% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.89% | 95.93% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.59% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.27% | 94.80% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 85.17% | 99.09% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 84.87% | 97.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.60% | 99.15% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 84.38% | 91.79% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.32% | 89.05% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.78% | 93.99% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 83.76% | 96.12% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.58% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.31% | 85.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.75% | 90.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.91% | 85.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.86% | 93.10% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.77% | 95.83% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.68% | 90.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.22% | 95.78% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.05% | 96.39% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.63% | 95.56% |
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.
| Glycyrrhiza glabra |
| PubChem | 162848394 |
| LOTUS | LTS0076267 |
| wikiData | Q105276913 |