6,4'-Dihydroxy-7-methoxyflavan

Details

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Internal ID 73e66038-183f-4dae-beef-2bee05814aee
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name (2S)-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-6-ol
SMILES (Canonical) COC1=C(C=C2CCC(OC2=C1)C3=CC=C(C=C3)O)O
SMILES (Isomeric) COC1=C(C=C2CC[C@H](OC2=C1)C3=CC=C(C=C3)O)O
InChI InChI=1S/C16H16O4/c1-19-16-9-15-11(8-13(16)18)4-7-14(20-15)10-2-5-12(17)6-3-10/h2-3,5-6,8-9,14,17-18H,4,7H2,1H3/t14-/m0/s1
InChI Key RHHDYYWXCOHKMQ-AWEZNQCLSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C16H16O4
Molecular Weight 272.29 g/mol
Exact Mass 272.10485899 g/mol
Topological Polar Surface Area (TPSA) 58.90 Ų
XlogP 3.10

Synonyms

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AKOS040762686
202463-50-1

2D Structure

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2D Structure of 6,4'-Dihydroxy-7-methoxyflavan

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 98.36% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.08% 96.09%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 93.18% 91.79%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.60% 97.09%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 92.36% 95.78%
CHEMBL241 Q14432 Phosphodiesterase 3A 92.05% 92.94%
CHEMBL3438 Q05513 Protein kinase C zeta 91.65% 88.48%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 89.72% 95.89%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.90% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.76% 95.89%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 87.51% 85.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.55% 94.00%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 86.43% 82.67%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.58% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.39% 99.17%
CHEMBL3192 Q9BY41 Histone deacetylase 8 84.20% 93.99%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.00% 86.33%
CHEMBL2535 P11166 Glucose transporter 81.26% 98.75%
CHEMBL4208 P20618 Proteasome component C5 81.14% 90.00%
CHEMBL3194 P02766 Transthyretin 80.64% 90.71%

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.
Dalbergia cochinchinensis
Dalbergia odorifera

Cross-Links

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PubChem 25181513
LOTUS LTS0173011
wikiData Q105236367