5-Hydroxy-7-methoxy-2-[2-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

Details

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Internal ID 987466b3-c033-41a1-a856-ab0ebba14120
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 5-hydroxy-7-methoxy-2-[2-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H24O11/c1-30-10-6-11(25)18-12(26)8-16(32-15(18)7-10)19-13(31-2)4-3-5-14(19)33-23-22(29)21(28)20(27)17(9-24)34-23/h3-8,17,20-25,27-29H,9H2,1-2H3
InChI Key PJZYAXBUMUMREC-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C23H24O11
Molecular Weight 476.40 g/mol
Exact Mass 476.13186158 g/mol
Topological Polar Surface Area (TPSA) 164.00 Ų
XlogP 1.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-Hydroxy-7-methoxy-2-[2-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

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 99.43% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.39% 85.14%
CHEMBL2581 P07339 Cathepsin D 96.19% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.95% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 95.73% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.92% 89.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.84% 99.15%
CHEMBL220 P22303 Acetylcholinesterase 91.78% 94.45%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 91.60% 96.21%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.28% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.90% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 89.44% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.12% 99.17%
CHEMBL2535 P11166 Glucose transporter 86.26% 98.75%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.20% 97.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.59% 95.89%
CHEMBL3194 P02766 Transthyretin 84.26% 90.71%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 83.54% 94.03%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 83.13% 95.50%
CHEMBL3714130 P46095 G-protein coupled receptor 6 82.49% 97.36%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.31% 99.23%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.13% 96.00%
CHEMBL4208 P20618 Proteasome component C5 81.09% 90.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.15% 97.14%

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.
Oroxylum indicum

Cross-Links

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PubChem 75154592
LOTUS LTS0071681
wikiData Q105210257