(3S)-3,5-dihydroxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)-8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-4-one
| Internal ID | 4afabfcd-c17f-401f-b7a2-4cfb6ab902f9 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 8-prenylated isoflavanones |
| IUPAC Name | (3S)-3,5-dihydroxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)-8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC1(CCC2=C(O1)C=C(C3=C2OCC(C3=O)(C4=C(C5=C(C=C4)OC(C=C5)(C)C)OC)O)O)C |
| SMILES (Isomeric) | CC1(CCC2=C(O1)C=C(C3=C2OC[C@](C3=O)(C4=C(C5=C(C=C4)OC(C=C5)(C)C)OC)O)O)C |
| InChI | InChI=1S/C26H28O7/c1-24(2)10-8-14-18(32-24)7-6-16(21(14)30-5)26(29)13-31-22-15-9-11-25(3,4)33-19(15)12-17(27)20(22)23(26)28/h6-8,10,12,27,29H,9,11,13H2,1-5H3/t26-/m1/s1 |
| InChI Key | IKBKCKHPPOTQAM-AREMUKBSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O7 |
| Molecular Weight | 452.50 g/mol |
| Exact Mass | 452.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (3S)-3,5-dihydroxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)-8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/03664560-85ca-11ee-8724-714225cbe582.jpg "2D Structure of (3S)-3,5-dihydroxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)-8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.70% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.84% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.04% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.14% | 93.99% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.62% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.22% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.84% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.47% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.11% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.18% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.58% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.95% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.86% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.40% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.03% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.41% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.93% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.39% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.99% | 89.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.79% | 94.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.12% | 99.15% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.25% | 82.67% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.86% | 95.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.72% | 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.
| Sophora mollis |
| PubChem | 163104438 |
| LOTUS | LTS0134065 |
| wikiData | Q105114263 |