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homocapsaicin
chemical compound
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide
homocapsaicin (former structure assignment)
homocapsaicin I
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Statements
instance of
type of chemical entity
0 references
subclass of
capsaicinoid
0 references
chemical structure
Homocapsaicin.svg
710 × 179; 705 bytes
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mass
319.214743788
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₉NO₃
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canonical SMILES
COc1cc(CNC(=O)CCCCCC=CC(C)C)ccc1O
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isomeric SMILES
CC(C)/C=C/CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
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found in taxon
Capsicum pubescens
1 reference
stated in
Lipase-catalyzed synthesis of pungent capsaicin analogues
Capsicum annuum
3 references
stated in
Trace analysis of natural capsaicinoids in animal feed, human urine, and wastewater by high-pressure liquid chromatography
stated in
Rapid sample preparation method for HPLC analysis of capsaicinoids in capsicum fruits and oleoresins
stated in
Improved high-performance liquid chromatography method for the determination of major capsaicinoids in Capsicum oleoresins
Identifiers
InChI
InChI=1S/C19H29NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)/b9-7+
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InChIKey
JKIHLSTUOQHAFF-VQHVLOKHSA-N
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CAS Registry Number
58493-48-4
1 reference
InChIKey
JKIHLSTUOQHAFF-VQHVLOKHSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=58493-48-4
PubChem CID
6442566
0 references
ChEBI ID
165229
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
29127270
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50894012
0 references
DSSTOX compound identifier
DTXCID30876634
0 references
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