Dihydro-feruloyltyramine

Details

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Internal ID 710b7258-0f10-4e9b-ae8e-d81efb190415
Taxonomy Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
IUPAC Name (E)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
SMILES (Canonical) COC1=C(C=CC(C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O
SMILES (Isomeric) COC1=C(C=CC(C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O)O
InChI InChI=1S/C18H21NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,14,20-21H,10-12H2,1H3,(H,19,22)/b9-5+
InChI Key SSSZOJRRHDBOAO-WEVVVXLNSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C18H21NO4
Molecular Weight 315.40 g/mol
Exact Mass 315.14705815 g/mol
Topological Polar Surface Area (TPSA) 78.80 Ų
XlogP 2.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Dihydro-feruloyltyramine

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.73% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.54% 91.11%
CHEMBL2581 P07339 Cathepsin D 96.72% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.75% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.02% 99.17%
CHEMBL3437 Q16853 Amine oxidase, copper containing 90.90% 94.00%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 88.68% 89.33%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 87.33% 96.67%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 86.88% 95.89%
CHEMBL4208 P20618 Proteasome component C5 86.03% 90.00%
CHEMBL2535 P11166 Glucose transporter 85.88% 98.75%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.95% 96.95%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 82.93% 94.33%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.62% 86.33%

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.
Annona cherimola
Annona squamosa

Cross-Links

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PubChem 132277405
LOTUS LTS0150038
wikiData Q105259889