9-hydroxy-6-methoxy-8-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one
Internal ID | b701781d-f49a-4008-9bd7-526c3450315f |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
IUPAC Name | 9-hydroxy-6-methoxy-8-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one |
SMILES (Canonical) | COC1=CC(=C2C(=C1)C=C3COC(=O)C3=C2O)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O |
SMILES (Isomeric) | COC1=CC(=C2C(=C1)C=C3COC(=O)C3=C2O)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O |
InChI | InChI=1S/C24H28O14/c1-33-10-3-8-2-9-5-34-22(32)15(9)18(28)14(8)12(4-10)37-24-21(31)19(29)17(27)13(38-24)7-36-23-20(30)16(26)11(25)6-35-23/h2-4,11,13,16-17,19-21,23-31H,5-7H2,1H3 |
InChI Key | OCGVUJOAGGZNKK-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H28O14 |
Molecular Weight | 540.50 g/mol |
Exact Mass | 540.14790556 g/mol |
Topological Polar Surface Area (TPSA) | 214.00 Ų |
XlogP | -1.50 |
There are no found synonyms. |
![2D Structure of 9-hydroxy-6-methoxy-8-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one 2D Structure of 9-hydroxy-6-methoxy-8-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/eca899e0-8474-11ee-97a9-67b8c7354f05.jpg)
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 | 99.76% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.95% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.61% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 94.77% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.59% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.30% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.30% | 95.56% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.73% | 97.36% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.14% | 97.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.18% | 94.73% |
CHEMBL4208 | P20618 | Proteasome component C5 | 87.14% | 90.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.92% | 94.45% |
CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 86.60% | 98.21% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.98% | 92.62% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.56% | 95.89% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.49% | 99.17% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.35% | 96.21% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.24% | 99.15% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.86% | 89.00% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.17% | 95.50% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.32% | 95.83% |
CHEMBL2535 | P11166 | Glucose transporter | 82.17% | 98.75% |
CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.67% | 93.18% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.59% | 95.89% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.51% | 99.23% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.50% | 96.00% |
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.
Rhamnus pallasii |
PubChem | 162868600 |
LOTUS | LTS0142918 |
wikiData | Q105189356 |