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(Q105150144)
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English
2-Methyl-5-(8-pentadecenyl)-1,3-benzenediol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic alkylphenol
0 references
mass
332.271530392
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₆O₂
0 references
canonical SMILES
OC=1C=C(C=C(O)C1C)CCCCCCCC=CCCCCCC
0 references
isomeric SMILES
C1(O)C=C(CCCCCCC/C=C\CCCCCC)C=C(O)C=1C
0 references
found in taxon
Cashew
3 references
stated in
Antitumor agents from the cashew (Anacardium occidentale) apple juice
stated in
Antitumor agents from the cashew (Anacardium occidentale) apple juice
stated in
Tyrosinase inhibitors from Anacardium occidentale fruits
Identifiers
InChI
InChI=1S/C22H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19(2)22(24)18-20/h8-9,17-18,23-24H,3-7,10-16H2,1-2H3/b9-8-
0 references
InChIKey
LDBPJTXLCRXBIJ-HJWRWDBZSA-N
0 references
CAS Registry Number
50423-13-7
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
6452209
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LDBPJTXLCRXBIJ-HJWRWDBZSA-N
ChEBI ID
190337
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19(2)22(24)18-20/h8-9,17-18,23-24H,3-7,10-16H2,1-2H3/b9-8-
UniChem compound ID
445783
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901234938
1 reference
matched by identifier from
InChIKey
InChIKey
LDBPJTXLCRXBIJ-HJWRWDBZSA-N
Human Metabolome Database ID
HMDB0038910
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LDBPJTXLCRXBIJ-HJWRWDBZSA-N
UNII
ZDR3VQY8VS
1 reference
matched by identifier from
InChIKey
InChIKey
LDBPJTXLCRXBIJ-HJWRWDBZSA-N
LIPID MAPS ID
LMPK15030059
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
15 January 2022
InChIKey
LDBPJTXLCRXBIJ-HJWRWDBZSA-N
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