Eupomatenoid 5

Details

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Internal ID 8a6ee481-c12b-418c-835d-1f2445ab7130
Taxonomy Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
IUPAC Name 2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
SMILES (Canonical) CC=CC1=CC2=C(C=C1)OC(=C2C)C3=CC(=C(C=C3)O)OC
SMILES (Isomeric) C/C=C/C1=CC2=C(C=C1)OC(=C2C)C3=CC(=C(C=C3)O)OC
InChI InChI=1S/C19H18O3/c1-4-5-13-6-9-17-15(10-13)12(2)19(22-17)14-7-8-16(20)18(11-14)21-3/h4-11,20H,1-3H3/b5-4+
InChI Key HMGCTPMQYVGXSC-SNAWJCMRSA-N
Popularity 18 references in papers

Physical and Chemical Properties

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Molecular Formula C19H18O3
Molecular Weight 294.30 g/mol
Exact Mass 294.125594432 g/mol
Topological Polar Surface Area (TPSA) 42.60 Ų
XlogP 5.00

Synonyms

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41744-28-9
2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
Eupomatenoid-5
2-Methoxy-4-[3-methyl-5-[(E)-1-propenyl]benzofuran-2-yl]phenol
CHEMBL4565833
DTXSID701317176
2-(4'-Hydroxy-3'-methoxyphenyl)-3-methyl-5(E)-propenylbenzofuran
AKOS040734921
NCGC00385078-01
2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]benzofuran-2-yl]phenol
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Eupomatenoid 5

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 98.53% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 95.61% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.69% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.07% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.49% 95.56%
CHEMBL3194 P02766 Transthyretin 91.52% 90.71%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 91.13% 96.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 88.24% 99.15%
CHEMBL1907 P15144 Aminopeptidase N 87.92% 93.31%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.40% 94.00%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 86.62% 98.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.29% 99.17%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 85.01% 95.50%
CHEMBL241 Q14432 Phosphodiesterase 3A 84.81% 92.94%
CHEMBL3401 O75469 Pregnane X receptor 82.92% 94.73%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 82.88% 93.65%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 82.12% 91.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.15% 94.45%
CHEMBL242 Q92731 Estrogen receptor beta 81.10% 98.35%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 80.97% 89.62%
CHEMBL3492 P49721 Proteasome Macropain subunit 80.09% 90.24%

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.
Caryodaphnopsis baviensis
Caryodaphnopsis tonkinensis
Eupomatia bennettii
Eupomatia laurina
Magnolia yunnanensis
Piper aequale
Piper decurrens
Piper regnellii
Piper solmsianum

Cross-Links

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PubChem 6443783
LOTUS LTS0196816
wikiData Q104399758