n-cis-Feruloyltyramine

Details

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Internal ID 819f3043-44c8-4340-b470-48081da61018
Taxonomy Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives
IUPAC Name (Z)-3-(4-hydroxy-3-methoxyphenyl)-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/C18H19NO4/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/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5-
InChI Key NPNNKDMSXVRADT-UITAMQMPSA-N
Popularity 15 references in papers

Physical and Chemical Properties

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Molecular Formula C18H19NO4
Molecular Weight 313.30 g/mol
Exact Mass 313.13140809 g/mol
Topological Polar Surface Area (TPSA) 78.80 Ų
XlogP 2.10

Synonyms

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cis-N-Feruloyltyramine
80510-09-4
N-Cis-Feruloyl Tyramine
(Z)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)-, (2Z)-
CHEMBL451720
SCHEMBL17693085
CHEBI:185384
DTXSID101313914
AKOS025287954
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of n-cis-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.66% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.86% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 95.21% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.03% 86.33%
CHEMBL2581 P07339 Cathepsin D 94.73% 98.95%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 93.20% 96.00%
CHEMBL4630 O14757 Serine/threonine-protein kinase Chk1 91.82% 97.03%
CHEMBL1255126 O15151 Protein Mdm4 90.67% 90.20%
CHEMBL4208 P20618 Proteasome component C5 90.23% 90.00%
CHEMBL2535 P11166 Glucose transporter 90.06% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.47% 94.45%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 88.34% 95.50%
CHEMBL3194 P02766 Transthyretin 88.02% 90.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.49% 95.56%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 86.07% 89.33%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 85.77% 96.95%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 85.02% 96.67%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.61% 89.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.65% 90.71%
CHEMBL3437 Q16853 Amine oxidase, copper containing 81.62% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 80.12% 94.73%

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.
Acorus gramineus
Aframomum daniellii
Alchornea cordifolia
Alstonia angustiloba
Amphiachyris dracunculoides
Anemarrhena asphodeloides
Annona cherimola
Antidesma montanum var. montanum
Aquilaria sinensis
Aristolochia gehrtii
Aristolochia kaempferi
Aristolochia zollingeriana
Atalantia wightii
Avena fatua
Baccharis grandicapitulata
Balanites aegyptiaca
Balanophora japonica
Beesia calthifolia
Boschniakia rossica
Botrychium ternatum
Bursera kerberi
Cannabis sativa
Capsicum annuum
Casearia membranacea
Clerodendrum trichotomum
Clinacanthus nutans
Corydalis persica
Corynanthe pachyceras
Cota tinctoria
Crotalaria stolzii
Curcuma aeruginosa
Cynoglossum amabile
Delphinium giraldii
Deprea subtriflora
Eucalyptus albens
Euonymus fortunei
Euploca racemosa
Fibraurea tinctoria
Glycosmis pseudoracemosa
Hedysarum gmelinii
Helenium integrifolium
Helichrysum fulvum
Hibiscus syriacus
Hibiscus taiwanensis
Hornstedtia reticulata
Illigera luzonensis
Iphiona grantioides
Ipomoea aquatica
Ipomoea nil
Ipomoea purpurea
Juniperus horizontalis
Juniperus scopulorum
Lasianthaea podocephala
Lathyrus tingitanus
Lindera glauca
Lupinus cosentinii
Magnolia compressa
Melampodium leucanthum
Myrica pensylvanica
Nelumbo nucifera
Neopallasia pectinata
Papaver pseudocanescens
Pellacalyx axillaris
Peperomia blanda
Peperomia filiformis
Peperomia heyneana
Persicaria orientalis
Phlomis crinita
Piper argyrophyllum
Piper caninum
Piper sylvaticum
Plectranthus caninus
Polygonatum odoratum
Psidium acutangulum
Pyrolirion flavum
Rauvolfia salicifolia
Renealmia alpinia
Rhododendron mucronulatum
Schizanthus litoralis
Seseli libanotis
Sideritis dasygnaphala
Solanum myriacanthum
Solanum tuberosum
Spatholobus suberectus
Stellaria media
Strychnos spinosa
Synsepalum dulcificum
Tephroseris kirilowii
Tephroseris palustris
Tetradium glabrifolium
Thalictrum microgynum
Tinospora crispa
Triclisia sacleuxii
Zanthoxylum beecheyanum

Cross-Links

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PubChem 6440659
NPASS NPC35961
ChEMBL CHEMBL451720
LOTUS LTS0255533
wikiData Q104251609