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(Q72484397)
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English
5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic alkylphenol
0 references
mass
322.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₃₀O₄
0 references
canonical SMILES
O=C(CCC1=CC=C(O)C(OC)=C1)CC(O)CCCCCCC
0 references
found in taxon
Zingiber
1 reference
stated in
Mechanism-based inhibition of CYP3A4 by constituents of Zingiber aromaticum
Zingiber officinale
4 references
stated in
Comparative effects of two gingerol-containing Zingiber officinale extracts on experimental rheumatoid arthritis
stated in
Cardiotonic principles of ginger (Zingiber officinale Roscoe).
stated in
Studies on the Pungent Principles of Ginger (Zingiber officinale ROSCOE) by GC-MS
stated in
Constituents of Zingiber aromaticum and Their CYP3A4 and CYP2D6 Inhibitory Activity.
Identifiers
InChI
InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3
0 references
InChIKey
BCIWKKMTBRYQJU-UHFFFAOYSA-N
0 references
CAS Registry Number
77398-92-6
0 references
PubChem CID
5275725
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BCIWKKMTBRYQJU-UHFFFAOYSA-N
ChEBI ID
171697
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3
UniChem compound ID
25957824
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10414992
1 reference
matched by identifier from
InChIKey
InChIKey
BCIWKKMTBRYQJU-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00365843
0 references
Human Metabolome Database ID
HMDB0033615
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BCIWKKMTBRYQJU-UHFFFAOYSA-N
Probes And Drugs ID
PD086949
0 references
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