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(Q104399691)
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Americanol A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-[3-(Hydroxymethyl)-6-(3-hydroxyprop-1-enyl)-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol
1 reference
based on heuristic
inferred from SMILES
4-[(2S)-3-(hydroxymethyl)-6-[(1E)-3-hydroxyprop-1-en-1-yl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol
1 reference
based on heuristic
inferred from SMILES
mass
330.110338296
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2S)-3alpha-(3,4-Dihydroxyphenyl)-7-[(E)-3-hydroxy-1-propenyl]-2,3-dihydro-1,4-benzodioxin-2beta-methanol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₁₈O₆
0 references
canonical SMILES
OC1=CC=C(C=C1O)C2OC3=CC=C(C=CCO)C=C3OC2CO
0 references
isomeric SMILES
OC/C=C/c1ccc2c(c1)O[C@H](CO)[C@@H](c1ccc(O)c(O)c1)O2
0 references
found in taxon
Morinda citrifolia
1 reference
stated in
Chemical constituents of Morinda citrifolia fruits inhibit copper-induced low-density lipoprotein oxidation
Capparis flavicans
1 reference
stated in
Antiestrogenic constituents of the Thai medicinal plants Capparis flavicans and Vitex glabrata
Joannesia princeps
1 reference
stated in
Sesquineolignans and other constituents from the seeds of Joannesia princeps
Phytolacca americana
2 references
stated in
Structures of americanol A and isoamericanol A having a neurotrophic property from the seeds of Phytolacca americana
stated in
Structures of 1,4-benzodioxane derivatives from the seeds of Phytolacca americana and their neuritogenic activity in primary cultured rat cortical neurons
Identifiers
InChI
InChI=1S/C18H18O6/c19-7-1-2-11-3-6-15-16(8-11)23-17(10-20)18(24-15)12-4-5-13(21)14(22)9-12/h1-6,8-9,17-22H,7,10H2/b2-1+/t17-,18-/m1/s1
0 references
InChIKey
NKYXNCKZTCGVJJ-ZHEVZCJESA-N
0 references
PubChem CID
637304
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NKYXNCKZTCGVJJ-ZHEVZCJESA-N
ChEBI ID
175211
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H18O6/c19-7-1-2-11-3-6-15-16(8-11)23-17(10-20)18(24-15)12-4-5-13(21)14(22)9-12/h1-6,8-9,17-22H,7,10H2/b2-1+/t17-,18-/m1/s1
UniChem compound ID
32023414
1 reference
stated in
UniChem
NMRShiftDB structure ID
10019495
1 reference
matched by identifier from
InChIKey
InChIKey
NKYXNCKZTCGVJJ-ZHEVZCJESA-N
Human Metabolome Database ID
HMDB0038494
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NKYXNCKZTCGVJJ-ZHEVZCJESA-N
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