Rhytidchromone C

Details

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Internal ID 65d16ff9-573c-4753-a32a-897f4939b38a
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones
IUPAC Name methyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate
SMILES (Canonical) CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC)C(CC(C(=O)OC)OC)OC
SMILES (Isomeric) CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC)[C@H](C[C@H](C(=O)OC)OC)OC
InChI InChI=1S/C18H22O8/c1-9-6-10(19)15-11(20)7-12(22-2)16(17(15)26-9)13(23-3)8-14(24-4)18(21)25-5/h6-7,13-14,20H,8H2,1-5H3/t13-,14+/m0/s1
InChI Key BKVHVYLMRZGKDR-UONOGXRCSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C18H22O8
Molecular Weight 366.40 g/mol
Exact Mass 366.13146766 g/mol
Topological Polar Surface Area (TPSA) 101.00 Ų
XlogP 1.90

Synonyms

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methyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate
RefChem:179336
Methyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxo-4H-chromen-8-yl)-2,4-dimethoxybutanoic acid
CHEBI:202990

2D Structure

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2D Structure of Rhytidchromone C

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 96.31% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.49% 94.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.30% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 90.28% 94.73%
CHEMBL2581 P07339 Cathepsin D 89.77% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.37% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.23% 89.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 87.03% 90.71%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.36% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.65% 94.45%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 83.96% 85.14%
CHEMBL340 P08684 Cytochrome P450 3A4 81.16% 91.19%
CHEMBL4208 P20618 Proteasome component C5 80.26% 90.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 132578877
LOTUS LTS0127500
wikiData Q77374711