5-[5,7-dihydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-1-yl]benzene-1,2,3-triol
Internal ID | 098dc22c-0d59-4053-bfd7-9b98a28251bb |
Taxonomy | Benzenoids > Phenols > Methoxyphenols |
IUPAC Name | 5-[5,7-dihydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-1-yl]benzene-1,2,3-triol |
SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C2C3COC(C3C4=C2C(=CC(=C4)O)O)C5=CC(=C(C(=C5)O)O)O |
SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)C2C3COC(C3C4=C2C(=CC(=C4)O)O)C5=CC(=C(C(=C5)O)O)O |
InChI | InChI=1S/C25H24O9/c1-32-18-5-10(6-19(33-2)24(18)31)20-14-9-34-25(11-3-16(28)23(30)17(29)4-11)21(14)13-7-12(26)8-15(27)22(13)20/h3-8,14,20-21,25-31H,9H2,1-2H3 |
InChI Key | UNFKSXAIQDLCLW-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C25H24O9 |
Molecular Weight | 468.50 g/mol |
Exact Mass | 468.14203234 g/mol |
Topological Polar Surface Area (TPSA) | 149.00 Ų |
XlogP | 2.70 |
There are no found synonyms. |
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 | 99.55% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.61% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.25% | 85.14% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.70% | 92.94% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.36% | 97.09% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.41% | 92.62% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.02% | 89.62% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.57% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.55% | 95.56% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.24% | 99.15% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.94% | 99.17% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.87% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.09% | 86.33% |
CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.31% | 92.68% |
CHEMBL3820 | P35557 | Hexokinase type IV | 81.67% | 91.96% |
CHEMBL2581 | P07339 | Cathepsin D | 81.65% | 98.95% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.69% | 90.00% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.16% | 97.14% |
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.
Syagrus romanzoffiana |
PubChem | 74333880 |
LOTUS | LTS0197783 |
wikiData | Q105275955 |