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(Q105229997)
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English
3-(4-hydroxyphenyl)-N-[4-[3-[3-(4-hydroxyphenyl)prop-2-enoylamino]propylamino]butyl]prop-2-enamide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
cinnamoylamide alkaloid
0 references
spermidine
0 references
mass
437.231456472
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₃₁N₃O₄
0 references
canonical SMILES
O=C(C=Cc1ccc(O)cc1)NCCCCNCCCNC(=O)C=Cc1ccc(O)cc1
0 references
found in taxon
Aphelandra chamissoniana
1 reference
stated in
Di-coumaroylspermidines and tri-coumaroylspermidines in anthers of different species of the genus Aphelandra
Aphelandra tetragona
2 references
stated in
Accumulation and metabolism of the spermine alkaloid aphelandrine in roots of Aphelandra tetragona
stated in
Di-coumaroylspermidines and tri-coumaroylspermidines in anthers of different species of the genus Aphelandra
Aphelandra arborea
2 references
stated in
Di-coumaroylspermidines and tri-coumaroylspermidines in anthers of different species of the genus Aphelandra
stated in
Accumulation and metabolism of the spermine alkaloid aphelandrine in roots of Aphelandra tetragona
Identifiers
InChI
InChI=1S/C25H31N3O4/c29-22-10-4-20(5-11-22)8-14-24(31)27-18-2-1-16-26-17-3-19-28-25(32)15-9-21-6-12-23(30)13-7-21/h4-15,26,29-30H,1-3,16-19H2,(H,27,31)(H,28,32)
0 references
InChIKey
QYBCBMVQSCJMSA-UHFFFAOYSA-N
0 references
CAS Registry Number
65715-79-9
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
73190496
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QYBCBMVQSCJMSA-UHFFFAOYSA-N
UniChem compound ID
70527177
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309362
1 reference
InChIKey
QYBCBMVQSCJMSA-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR311082
1 reference
InChIKey
QYBCBMVQSCJMSA-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID101108284
1 reference
matched by identifier from
InChIKey
InChIKey
QYBCBMVQSCJMSA-UHFFFAOYSA-N
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