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ScientificNameLabel
N-cis-Feruloyloctopamine
PHCD compound ID : 2653
Chemical Names :
N-cis-Feruloyloctopamine
Molecular Formula : C18H19N1O5
Molecular Weight : 329.126323
More Details :
Names & Synonyms: (Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enamide , (Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)-2-propenamide , (Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide , (Z)-N-[2-(4-hydroxyphenyl)-2-oxidanyl-ethyl]-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide , (Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxy-phenyl)acrylamide
Smiles: COc1cc(/C=C\C(=O)NC[C@@H](c2ccc(cc2)O)O)ccc1O
InChi : InChI=1S/C18H19NO5/c1-24-17-10-12(2-8-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)/b9-3-/t16-/m0/s1
InChi Key : InChIKey=VJSCHQMOTSXAKB-QBIOEUEZSA-N
PubChem ID : 68976271
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.569790
Hydrogen bond donor count : 4 Electric dipole moment : 4.244
XLogP : 0.342 VDW volume : 307.227489
Molecular weight : 329.126323 HOMO-LUMO gap : 8.305000
Herb list :
Refrences & Litretures:
  
309.      Journal:'BioMed Research International'      Year:'2015'      Volume:''      Page:'925631'      DOI:'10.1155/2015/925631'      Title:'Portulaca oleracea L.: A Review of Phytochemistry and Pharmacological Effects'
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