(2S,3R)-3,5,6-trimethoxy-2-phenyl-2,3-dihydrofuro[2,3-h]chromen-4-one

Details

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Internal ID 658e2824-0d9b-44a6-8a02-7514f4ff7a52
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Furanoflavonoids and dihydrofuranoflavonoids
IUPAC Name (2S,3R)-3,5,6-trimethoxy-2-phenyl-2,3-dihydrofuro[2,3-h]chromen-4-one
SMILES (Canonical) COC1C(OC2=C(C1=O)C(=C(C3=C2C=CO3)OC)OC)C4=CC=CC=C4
SMILES (Isomeric) CO[C@@H]1[C@@H](OC2=C(C1=O)C(=C(C3=C2C=CO3)OC)OC)C4=CC=CC=C4
InChI InChI=1S/C20H18O6/c1-22-18-13-14(21)19(23-2)15(11-7-5-4-6-8-11)26-16(13)12-9-10-25-17(12)20(18)24-3/h4-10,15,19H,1-3H3/t15-,19-/m0/s1
InChI Key RQFGLCAICBCPKW-KXBFYZLASA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H18O6
Molecular Weight 354.40 g/mol
Exact Mass 354.11033829 g/mol
Topological Polar Surface Area (TPSA) 67.10 Ų
XlogP 3.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2S,3R)-3,5,6-trimethoxy-2-phenyl-2,3-dihydrofuro[2,3-h]chromen-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 96.00% 95.56%
CHEMBL4040 P28482 MAP kinase ERK2 95.01% 83.82%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.44% 91.11%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.88% 99.23%
CHEMBL2581 P07339 Cathepsin D 90.31% 98.95%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 87.30% 94.03%
CHEMBL1951 P21397 Monoamine oxidase A 85.90% 91.49%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.42% 94.00%
CHEMBL2535 P11166 Glucose transporter 80.53% 98.75%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.33% 96.00%

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.
Lonchocarpus subglaucescens

Cross-Links

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PubChem 162895779
LOTUS LTS0271445
wikiData Q105243303