2',3,5-Trihydroxy-5',7-dimethoxyflavanone
Internal ID | 9453554a-46a1-44b9-a779-bba4f47d392f |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
IUPAC Name | 3,5-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one |
SMILES (Canonical) | COC1=CC(=C(C=C1)O)C2C(C(=O)C3=C(C=C(C=C3O2)OC)O)O |
SMILES (Isomeric) | COC1=CC(=C(C=C1)O)C2C(C(=O)C3=C(C=C(C=C3O2)OC)O)O |
InChI | InChI=1S/C17H16O7/c1-22-8-3-4-11(18)10(5-8)17-16(21)15(20)14-12(19)6-9(23-2)7-13(14)24-17/h3-7,16-19,21H,1-2H3 |
InChI Key | IDHBLUADTOWECE-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C17H16O7 |
Molecular Weight | 332.30 g/mol |
Exact Mass | 332.08960285 g/mol |
Topological Polar Surface Area (TPSA) | 105.00 Ų |
XlogP | 2.10 |
CHEBI:175240 |
3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone |
3,5-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-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 | 98.28% | 91.11% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.66% | 99.15% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.34% | 95.56% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.83% | 99.23% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.55% | 99.17% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.60% | 94.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.44% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.45% | 85.14% |
CHEMBL3401 | O75469 | Pregnane X receptor | 87.16% | 94.73% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.98% | 90.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.30% | 89.00% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.41% | 93.99% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.27% | 86.33% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.62% | 91.07% |
CHEMBL2581 | P07339 | Cathepsin D | 83.55% | 98.95% |
CHEMBL2535 | P11166 | Glucose transporter | 83.37% | 98.75% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.96% | 92.62% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.56% | 94.45% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.49% | 86.92% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.87% | 96.12% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.87% | 97.09% |
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.
Blumea balsamifera |
PubChem | 131752832 |
LOTUS | LTS0140937 |
wikiData | Q105111369 |