3,4,5-Trihydroxy-6-[2-(5-hydroxy-7,8-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-3-methoxyphenoxy]oxane-2-carboxylic acid
| Internal ID | ab3aea2f-fdba-4673-82fc-f72dcec0af3c |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids |
| IUPAC Name | 3,4,5-trihydroxy-6-[2-(5-hydroxy-7,8-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-3-methoxyphenoxy]oxane-2-carboxylic acid |
| SMILES (Canonical) | COC1=C(C(=CC=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O)C3CC(=O)C4=C(O3)C(=C(C=C4O)OC)OC |
| SMILES (Isomeric) | COC1=C(C(=CC=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O)C3CC(=O)C4=C(O3)C(=C(C=C4O)OC)OC |
| InChI | InChI=1S/C24H26O13/c1-32-11-5-4-6-12(36-24-19(29)17(27)18(28)22(37-24)23(30)31)16(11)13-7-9(25)15-10(26)8-14(33-2)20(34-3)21(15)35-13/h4-6,8,13,17-19,22,24,26-29H,7H2,1-3H3,(H,30,31) |
| InChI Key | YFJFVYFDSGLIGK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H26O13 |
| Molecular Weight | 522.50 g/mol |
| Exact Mass | 522.13734088 g/mol |
| Topological Polar Surface Area (TPSA) | 191.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of 3,4,5-Trihydroxy-6-[2-(5-hydroxy-7,8-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-3-methoxyphenoxy]oxane-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/33d377e0-8626-11ee-8e7d-75019083edbe.jpg "2D Structure of 3,4,5-Trihydroxy-6-[2-(5-hydroxy-7,8-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-3-methoxyphenoxy]oxane-2-carboxylic acid")
| 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 | 98.27% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.87% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.01% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.99% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.71% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.89% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.81% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.11% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.86% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.26% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.04% | 94.45% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.60% | 94.03% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.96% | 83.82% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 81.94% | 89.32% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.43% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.79% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.70% | 92.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.36% | 99.15% |
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.
| Scutellaria indica |
| PubChem | 13889015 |
| LOTUS | LTS0054401 |
| wikiData | Q105347614 |