2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

Details

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Internal ID c94635b0-b59c-453b-ad0b-8826bcca3220
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 3-O-methylated flavonoids
IUPAC Name 2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILES (Canonical) COC1=C(C=CC(=C1)C2CCC3=C(O2)C=C(C=C3)O)O
SMILES (Isomeric) COC1=C(C=CC(=C1)C2CCC3=C(O2)C=C(C=C3)O)O
InChI InChI=1S/C16H16O4/c1-19-16-8-11(3-6-13(16)18)14-7-4-10-2-5-12(17)9-15(10)20-14/h2-3,5-6,8-9,14,17-18H,4,7H2,1H3
InChI Key GJBQOEWAEONRFS-UHFFFAOYSA-N
Popularity 8 references 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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There are no found synonyms.

2D Structure

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2D Structure of 2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

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 99.05% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.82% 96.09%
CHEMBL3438 Q05513 Protein kinase C zeta 92.90% 88.48%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 92.79% 91.79%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.40% 97.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 92.24% 92.94%
CHEMBL5608 Q16288 NT-3 growth factor receptor 90.80% 95.89%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 90.52% 95.89%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.46% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.32% 99.17%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.13% 85.14%
CHEMBL4208 P20618 Proteasome component C5 85.40% 90.00%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 85.24% 95.78%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 85.22% 82.67%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.01% 94.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.99% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.34% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.21% 99.15%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 82.00% 89.62%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.75% 92.62%
CHEMBL2535 P11166 Glucose transporter 81.49% 98.75%
CHEMBL3194 P02766 Transthyretin 80.15% 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.
Cyperus pluribracteatus
Dracaena cinnabari
Dracaena draco
Iryanthera elliptica
Iryanthera grandis
Knema austrosiamensis

Cross-Links

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PubChem 11277283
LOTUS LTS0131362
wikiData Q105009330