Y13

(2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE

Created:	2005-11-10
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where Y13 is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	12

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
Systematic Name (OpenEye OEToolkits)	(E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
Formula	C₁₇ H₁₇ N O₄
Molecular Weight	299.321
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NCCc1ccc(O)cc1)\C=C\c2cc(O)c(O)cc2
SMILES	CACTVS	3.341	Oc1ccc(CCNC(=O)C=Cc2ccc(O)c(O)c2)cc1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1CCNC(=O)C=Cc2ccc(c(c2)O)O)O
Canonical SMILES	CACTVS	3.341	Oc1ccc(CCNC(=O)\C=C\c2ccc(O)c(O)c2)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1CCNC(=O)\C=C\c2ccc(c(c2)O)O)O
InChI	InChI	1.03	InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+
InChIKey	InChI	1.03	VSHUQLRHTJOKTA-XBXARRHUSA-N

Drug Info: DrugBank

DrugBank ID	DB08754
Name	N-Caffeoyltyramine
Groups	experimental
Synonyms	trans-N-Caffeoyltyramine Typheramide N-trans-Caffeoyltyramine N-Caffeoyltyramine
Categories	Acids, Carbocyclic Amines Biogenic Amines Biogenic Monoamines Cinnamates
CAS number	103188-48-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Peptide deformylase	MALLEIIHYPSKILRTISKEVVSFDAKLHQQLDDMYETMIASEGIGLAAI...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682