(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one

Details

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Internal ID 55c63cc4-1a3e-434b-b0b3-dbf7910e27b8
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones
IUPAC Name (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
SMILES (Canonical) CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)C)O
SMILES (Isomeric) CC1=C(C(=C2C(=C1O)C(=O)C[C@@H](O2)C3=CC=C(C=C3)O)C)O
InChI InChI=1S/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-6,13,18,20-21H,7H2,1-2H3/t13-/m1/s1
InChI Key DYHOLQACRGJEHX-CYBMUJFWSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H16O5
Molecular Weight 300.30 g/mol
Exact Mass 300.09977361 g/mol
Topological Polar Surface Area (TPSA) 87.00 Ų
XlogP 3.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.71% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.29% 91.11%
CHEMBL2581 P07339 Cathepsin D 91.85% 98.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.03% 97.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.53% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.35% 99.23%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 86.64% 85.11%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 85.56% 90.93%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.09% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.69% 94.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.09% 96.09%

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.
Angophora costata
Pancratium maritimum
Rhododendron farrerae

Cross-Links

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PubChem 25271796
LOTUS LTS0128497
wikiData Q104991373