5-hydroxy-2,2-dimethyl-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]pyrano[3,2-g]chromen-6-one
| Internal ID | 8649d714-2f4a-45fb-8026-c99eb3768f79 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | 5-hydroxy-2,2-dimethyl-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]pyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C |
| InChI | InChI=1S/C26H26O10/c1-26(2)8-7-14-16(36-26)9-17-19(20(14)28)21(29)15(11-33-17)12-3-5-13(6-4-12)34-25-24(32)23(31)22(30)18(10-27)35-25/h3-9,11,18,22-25,27-28,30-32H,10H2,1-2H3/t18-,22-,23+,24-,25-/m1/s1 |
| InChI Key | IPBFNCOSMJEHAG-GOZZSVHWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H26O10 |
| Molecular Weight | 498.50 g/mol |
| Exact Mass | 498.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 5-hydroxy-2,2-dimethyl-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]pyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/05408a80-852c-11ee-b282-c95d8df6152c.jpg "2D Structure of 5-hydroxy-2,2-dimethyl-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]pyrano[3,2-g]chromen-6-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 | 99.63% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.69% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.80% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.45% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.09% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.23% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.20% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.14% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.83% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.55% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.06% | 90.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.76% | 93.31% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.72% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.75% | 86.92% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.47% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.17% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.82% | 85.14% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.64% | 95.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.53% | 94.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.12% | 96.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.72% | 95.56% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.79% | 95.83% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.26% | 95.78% |
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.
| Genista pichisermolliana |
| PubChem | 162878198 |
| LOTUS | LTS0223431 |
| wikiData | Q105117040 |