Molecule

(R)-N-trans-feruloyloctopamine

AlkaPlorer ID: AK004373

Synonym: '', '(2S,E)-N-2-hydroxy-2-(4-hydroxyphenyl)ethylferulamide', 'N-2-(R)-hydroxy-2-(4-hydroxy-phenyl)ethyl-3-(4-hydroxy-3-methoxy-phenyl)acrylamide', 'N-trans-feruloyloctopamine', 'N-cis-Feruloyloctopamine', 'N-cis-feruloyloctopamine'

IUPAC Name: (E)-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

Structure

SMILES: COC1=CC(/C=C/C(O)=NC[C@H](O)C2=CC=C(O)C=C2)=CC=C1O

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

InChIKey: VJSCHQMOTSXAKB-CFZDNBDDSA-N

Reference

Chemical Constituents from the Root of <i>Antidesma Pentandrum</i> var. <i>Barbatum</i>

PubChem CID: 11151622

LOTUS: LTS0131989

SuperNatural Ⅲ: SN0392133-01

NPASS: NPC204848

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pisonia aculeata	Pisonia	Nyctaginaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces pentaticus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Eritrichium sericeum	Eritrichium	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Olea europaea	Olea	Oleaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lobophytum schoedei	Lobophytum	Alcyoniidae	Malacalcyonacea	Anthozoa	Cnidaria	Metazoa	Eukaryota
Streptomyces argenteolus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Anemone tomentosa	Anemone	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Chrysosplenium americanum	Chrysosplenium	Saxifragaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sabia japonica	Sabia	Sabiaceae	Proteales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Colpomenia sinuosa	Colpomenia	Scytosiphonaceae	Ectocarpales	Phaeophyceae	None	None	Eukaryota
Bohadschia vitiensis	Bohadschia	Holothuriidae	Aspidochirotida	Holothuroidea	Echinodermata	Metazoa	Eukaryota
Elsholtzia ciliata	Elsholtzia	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 329.35200000000003

TPSA？: 102.51

MolLogP？: 2.8097000000000016

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mus musculus	HT-22	EC50	32300.0	nM	10.1021/acs.jnatprod.0c00756
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	50.0	ug.mL-1	10.1021/np1008575