2,5-Dimethoxy-2-phenyl-3,4-dihydrofuro[2,3-h]chromen-4-ol

Details

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Internal ID 3ed6e35e-6285-4e9c-abf9-e8f3001b785b
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Furanoflavonoids and dihydrofuranoflavonoids
IUPAC Name 2,5-dimethoxy-2-phenyl-3,4-dihydrofuro[2,3-h]chromen-4-ol
SMILES (Canonical) COC1=C2C(CC(OC2=C3C=COC3=C1)(C4=CC=CC=C4)OC)O
SMILES (Isomeric) COC1=C2C(CC(OC2=C3C=COC3=C1)(C4=CC=CC=C4)OC)O
InChI InChI=1S/C19H18O5/c1-21-16-10-15-13(8-9-23-15)18-17(16)14(20)11-19(22-2,24-18)12-6-4-3-5-7-12/h3-10,14,20H,11H2,1-2H3
InChI Key JJNUOQQTGRIGHV-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H18O5
Molecular Weight 326.30 g/mol
Exact Mass 326.11542367 g/mol
Topological Polar Surface Area (TPSA) 61.10 Ų
XlogP 2.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,5-Dimethoxy-2-phenyl-3,4-dihydrofuro[2,3-h]chromen-4-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 98.43% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 95.11% 91.49%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.79% 96.09%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 93.26% 94.03%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.24% 95.56%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 88.31% 97.14%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 87.98% 89.44%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.63% 89.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.39% 93.99%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 86.10% 89.62%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 85.45% 94.62%
CHEMBL2581 P07339 Cathepsin D 85.39% 98.95%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.33% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.10% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.28% 94.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.19% 92.62%

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.
Millettia erythrocalyx

Cross-Links

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PubChem 78384845
LOTUS LTS0141361
wikiData Q105129761