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(Q72484395)
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English
5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
pair of isomers
5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
In more languages
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No label defined
No description defined
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Statements
instance of
group of stereoisomers
0 references
subclass of
guaiacols
0 references
beta-hydroxy ketone
0 references
biogenic alkylphenol
1 reference
inferred from
biogenic alkylphenol
mass
294.183109312
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₆O₄
0 references
canonical SMILES
O=C(CCC1=CC=C(O)C(OC)=C1)CC(O)CCCCC
0 references
found in taxon
Zingiber
1 reference
stated in
Mechanism-based inhibition of CYP3A4 by constituents of Zingiber aromaticum
Aframomum angustifolium
1 reference
stated in
Termite antifeedant activity in Aframomum melegueta
Zingiber officinale
1 reference
stated in
Studies on the Pungent Principles of Ginger (Zingiber officinale ROSCOE) by GC-MS
Identifiers
InChI
InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
0 references
InChIKey
NLDDIKRKFXEWBK-UHFFFAOYSA-N
0 references
CAS Registry Number
58253-27-3
0 references
PubChem CID
3473
1 reference
matched by identifier from
InChIKey
InChIKey
NLDDIKRKFXEWBK-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL2121898
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NLDDIKRKFXEWBK-UHFFFAOYSA-N
UniChem compound ID
1076315
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Univ_Connecticut-CO000211
0 references
MSBNK-Univ_Connecticut-CO000212
0 references
MSBNK-Univ_Connecticut-CO000213
0 references
MSBNK-Univ_Connecticut-CO000214
0 references
MSBNK-Univ_Connecticut-CO000215
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP007243
0 references
DSSTox substance ID
DTXSID40860302
0 references
DTXSID40274400
1 reference
matched by identifier from
InChIKey
InChIKey
NLDDIKRKFXEWBK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20225879
0 references
DTXCID00209713
0 references
Human Metabolome Database ID
HMDB0005783
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NLDDIKRKFXEWBK-UHFFFAOYSA-N
Probes And Drugs ID
PD056610
0 references
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