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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:59111 - 3-pentadecylcatechol
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ChEBI Ontology
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ChEBI Name
3-pentadecylcatechol
ChEBI ID
CHEBI:59111
Definition
Catechol substituted at position 3 with a pentadecyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:103066
Supplier Information
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Molfile
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Molfile
Formula
C21H36O2
Net Charge
0
Average Mass
320.50930
Monoisotopic Mass
320.27153
InChI
InChI=1S/C21H36O2/c1-
2-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
16-
19-
17-
15-
18-
20(22)
21(19)
23/h15,17-
18,22-
23H,2-
14,16H2,1H3
InChIKey
DQTMTQZSOJMZSF-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCc1cccc(O)c1O
Roles Classification
Biological Role
(s):
allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-pentadecylcatechol (
CHEBI:59111
)
has role
allergen (
CHEBI:50904
)
3-pentadecylcatechol (
CHEBI:59111
)
is a
catechols (
CHEBI:33566
)
IUPAC Name
3-pentadecylbenzene-1,2-diol
Synonyms
Sources
3-n-Pentadecylcatechol
ChemIDplus
3-n-Pentadecylpyrocatechol
ChemIDplus
3-PDC
ChEBI
3-Pentadecacatechol
ChemIDplus
3-Pentadecyl-benzene-1,2-diol
ChEMBL
3-Pentadecylcatechol
ChemIDplus
Dihydrorhengol
ChemIDplus
Hydroureshiol
ChemIDplus
PDC
ChEBI
Tetrahydrourushiol
ChemIDplus
Registry Numbers
Types
Sources
1885390
Beilstein Registry Number
Beilstein
1885390
Reaxys Registry Number
Reaxys
492-89-7
CAS Registry Number
ChemIDplus
Citations
Types
Sources
10651166
PubMed citation
Europe PMC
124541
PubMed citation
Europe PMC
18918804
PubMed citation
Europe PMC
21015760
PubMed citation
Europe PMC
3742608
PubMed citation
Europe PMC
6827123
PubMed citation
Europe PMC
Last Modified
12 March 2019