Summary

IMPPAT Phytochemical identifier: IMPHY013205

Phytochemical name: N-trans-feruloyl-4'-O-methyldopamine

Synonymous chemical names:
n-trans-feruloyl-4-o-methyldopamine

External chemical identifiers:
CID:14412557, ChEBI:67378, ZINC:ZINC000095620489, SureChEMBL:SCHEMBL1114505

---

Chemical structure information

SMILES:
COc1ccc(cc1O)CCNC(=O)/C=C/c1ccc(c(c1)OC)O

InChI:
InChI=1S/C19H21NO5/c1-24-17-7-4-14(11-16(17)22)9-10-20-19(23)8-5-13-3-6-15(21)18(12-13)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)/b8-5+

InChIKey:
ACSWAJLDOHJFNA-VMPITWQZSA-N

DeepSMILES:
COcccccc6O)))CCNC=O)/C=C/cccccc6)OC)))O

Functional groups:
c/C=C/C(=O)NC, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)NCCc1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)NCCC1CCCCC1

Scaffold Graph level:
CC(CCCC1CCCCC1)CCC1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamic acids and derivatives

ClassyFire Subclass: Hydroxycinnamic acids and derivatives

NP Classifier Biosynthetic pathway: Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acid amides

NP-Likeness score: 0.354

---

Chemical structure download