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N-Feruloyloctopamine
chemical compound
N-trans-Feruloyloctopamine
trans-N-Feruloyl octopamine
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Statements
instance of
type of chemical entity
0 references
subclass of
Cis-N-Feruloyloctopamine
1 reference
based on heuristic
inferred from SMILES
N-Feruloyloctopamine
1 reference
based on heuristic
inferred from SMILES
mass
329.126322708
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₉NO₅
0 references
canonical SMILES
COc1cc(C=CC(=O)NCC(O)c2ccc(O)cc2)ccc1O
0 references
isomeric SMILES
COc1cc(/C=C/C(=O)NCC(O)c2ccc(O)cc2)ccc1O
1 reference
based on heuristic
inferred from InChI
found in taxon
Garlic (allium sativum)
1 reference
stated in
Identification of six phenylpropanoids from garlic skin as major antioxidants
Capnoides sempervirens
1 reference
stated in
Phenolic amides and isoquinoline alkaloids from Corydalis sempervirens
Portulaca oleracea
1 reference
stated in
Homoisoflavonoids from the medicinal plant Portulaca oleracea
Identifiers
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+
0 references
InChIKey
VJSCHQMOTSXAKB-YCRREMRBSA-N
0 references
CAS Registry Number
66648-44-0
1 reference
InChIKey
VJSCHQMOTSXAKB-YCRREMRBSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=66648-44-0
PubChem CID
24096391
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
191530
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
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+
UniChem compound ID
32011570
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30904229
0 references
DSSTOX compound identifier
DTXCID101333378
0 references
Human Metabolome Database ID
HMDB0032805
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VJSCHQMOTSXAKB-YCRREMRBSA-N
Probes And Drugs ID
PD158081
0 references
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