5,7-Dimethoxy-2-methyl-6-prop-2-enoxy-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran

Details

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Internal ID 7f6cf5b0-9585-4210-85b8-eac052951c80
Taxonomy Organoheterocyclic compounds > Coumarans > 1-phenylcoumarans
IUPAC Name 5,7-dimethoxy-2-methyl-6-prop-2-enoxy-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H28O7/c1-8-9-29-22-18(26-5)12-15-19(13(2)30-20(15)23(22)28-7)14-10-16(24-3)21(27-6)17(11-14)25-4/h8,10-13,19H,1,9H2,2-7H3
InChI Key UDHOXNJMTJQGIO-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C23H28O7
Molecular Weight 416.50 g/mol
Exact Mass 416.18350323 g/mol
Topological Polar Surface Area (TPSA) 64.60 Ų
XlogP 4.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5,7-Dimethoxy-2-methyl-6-prop-2-enoxy-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran

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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.04% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.35% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.95% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.64% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.05% 86.33%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 86.22% 89.62%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.92% 96.00%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 82.20% 95.17%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 81.20% 95.89%
CHEMBL1163125 O60885 Bromodomain-containing protein 4 80.93% 97.31%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.79% 89.00%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 80.17% 94.03%
CHEMBL3401 O75469 Pregnane X receptor 80.10% 94.73%
CHEMBL3572 P11597 Cholesteryl ester transfer protein 80.00% 92.67%

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.
Licaria chrysophylla

Cross-Links

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PubChem 14558397
LOTUS LTS0217479
wikiData Q105270365