2',3,5-Trihydroxy-5',7-dimethoxyflavanone

Details

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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

Physical and Chemical Properties

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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

Synonyms

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CHEBI:175240
3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone
3,5-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one

2D Structure

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2D Structure of 2',3,5-Trihydroxy-5',7-dimethoxyflavanone

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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%

Plants that contains it

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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.
Blumea balsamifera

Cross-Links

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PubChem 131752832
LOTUS LTS0140937
wikiData Q105111369