ECTO | Classes | AgroPortal

ID	http://purl.obolibrary.org/obo/CHEBI_4917 http://purl.obolibrary.org/obo/CHEBI_4917 https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_4917 Loading
Preferred name	eugenol
Synonyms	Allylguaiacol 2-methoxy-4-prop-2-enyl-phenol 2-Methoxy-4-prop-2-enylphenol 2-Methoxy-1-hydroxy-4-allylbenzene 2-methoxy-4-(2-propen-1-yl)phenol eugenol 2-Methoxy-4-(2-propenyl)phenol 4-Allyl-1-hydroxy-2-methoxybenzene 1-allyl-3-methoxy-4-hydroxybenzene 1-allyl-4-hydroxy-3-methoxybenzene 1-Hydroxy-2-methoxy-4-allylbenzene p-Eugenol 2-methoxy-4-(prop-2-en-1-yl)phenol 4-Allylguaiacol 2-Hydroxy-5-allylanisole 1-Hydroxy-2-methoxy-4-propenylbenzene 4-Allylcatechol-2-methyl ether 4-Hydroxy-3-methoxy-1-allylbenzene 2-Methoxy-4-(2-propen-1-yl)phenol Caryophyllic acid p-Allylguaiacol 1,3,4-Eugenol 4-Allyl-2-methoxyphenol Eugenol 4-allyl-2-methoxyphenol 1-Hydroxy-2-methoxy-4-prop-2-enylbenzene Eugenic acid 2-Methoxy-4-allylphenol
Definitions	A phenylpropanoid formally derived from guaiacol with an allyl chain substituted para to the hydroxy group. It is a major component of clove essential oil, and exhibits antibacterial, analgesic and antioxidant properties. It has been widely used in dentistry to treat toothache and pulpitis.

obo_purl:RO_0000053	http://purl.obolibrary.org/obo/CHEBI_38623 http://purl.obolibrary.org/obo/CHEBI_35480 http://purl.obolibrary.org/obo/CHEBI_38867 http://purl.obolibrary.org/obo/CHEBI_33282 http://purl.obolibrary.org/obo/CHEBI_85234 http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50904 http://purl.obolibrary.org/obo/CHEBI_27311 http://purl.obolibrary.org/obo/CHEBI_35617 http://purl.obolibrary.org/obo/CHEBI_139492 http://purl.obolibrary.org/obo/CHEBI_48578 http://purl.obolibrary.org/obo/CHEBI_73240 http://purl.obolibrary.org/obo/CHEBI_67079 http://purl.obolibrary.org/obo/CHEBI_68495 http://purl.obolibrary.org/obo/CHEBI_38634
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles	COC1=CC(CC=C)=CC=C1O
obo_purl:charge	0
obo_purl:inchikey	RRAFCDWBNXTKKO-UHFFFAOYSA-N
obo_purl:RO_0000087	http://purl.obolibrary.org/obo/CHEBI_38623 http://purl.obolibrary.org/obo/CHEBI_35480 http://purl.obolibrary.org/obo/CHEBI_38867 http://purl.obolibrary.org/obo/CHEBI_33282 http://purl.obolibrary.org/obo/CHEBI_85234 http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50904 http://purl.obolibrary.org/obo/CHEBI_27311 http://purl.obolibrary.org/obo/CHEBI_35617 http://purl.obolibrary.org/obo/CHEBI_139492 http://purl.obolibrary.org/obo/CHEBI_48578 http://purl.obolibrary.org/obo/CHEBI_73240 http://purl.obolibrary.org/obo/CHEBI_67079 http://purl.obolibrary.org/obo/CHEBI_68495 http://purl.obolibrary.org/obo/CHEBI_38634
oboinowl_gen:hasDbXref	PMID:23791894 PMID:23841789 PMID:23852671 Chemspider:13876103 PDBeChem:EOL PMID:23707945 PMID:33291666 PMID:2329164 PMID:29079364 LINCS:LSM-2720 FooDB:FDB012171 Drug_Central:4648 PMID:23325490 PMID:23313798 PMID:20809147 PMID:32737935 PMID:8596779 PMID:23768603 PMID:15574415 BPDB:2008 PMID:23768604 PMID:23837051 PMID:23677922 PMID:23181601 PMID:23261812 KNApSAcK:C00000619 Wikipedia:Eugenol PMID:28044068 PMID:11806158 PMID:14745850 PMID:23666640 PMID:23422489 KEGG:D04117 PMID:11033063 PMID:23422484 PMID:23594212 PMID:18218839 PMID:9084914 PMID:23264268 Beilstein:1366759 PMID:22923067 PMID:23444040 KEGG:C10453 CAS:97-53-0 HMDB:HMDB0005809 Reaxys:1366759 MetaCyc:CPD-6481 PMID:33916044 PMID:22075131
obo_purl:IAO_0000115	A phenylpropanoid formally derived from guaiacol with an allyl chain substituted para to the hydroxy group. It is a major component of clove essential oil, and exhibits antibacterial, analgesic and antioxidant properties. It has been widely used in dentistry to treat toothache and pulpitis.
skos:notation	CHEBI:4917
oboinowl_gen:hasExactSynonym	eugenol 2-methoxy-4-(prop-2-en-1-yl)phenol Eugenol
obo_purl:mass	164.204
obo_purl:inchi	InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
obo_purl:has_functional_parent	http://purl.obolibrary.org/obo/CHEBI_28591
obo_purl:formula	C10H12O2
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym	Allylguaiacol 2-methoxy-4-prop-2-enyl-phenol 2-Methoxy-4-prop-2-enylphenol 2-Methoxy-1-hydroxy-4-allylbenzene 2-methoxy-4-(2-propen-1-yl)phenol 2-Methoxy-4-(2-propenyl)phenol 4-Allyl-1-hydroxy-2-methoxybenzene 1-allyl-3-methoxy-4-hydroxybenzene 1-allyl-4-hydroxy-3-methoxybenzene 1-Hydroxy-2-methoxy-4-allylbenzene p-Eugenol 4-Allylguaiacol 2-Hydroxy-5-allylanisole 1-Hydroxy-2-methoxy-4-propenylbenzene 4-Allylcatechol-2-methyl ether 4-Hydroxy-3-methoxy-1-allylbenzene 2-Methoxy-4-(2-propen-1-yl)phenol Caryophyllic acid p-Allylguaiacol 1,3,4-Eugenol 4-Allyl-2-methoxyphenol 4-allyl-2-methoxyphenol 1-Hydroxy-2-methoxy-4-prop-2-enylbenzene Eugenic acid 2-Methoxy-4-allylphenol
oboinowl_gen:id	CHEBI:4917
rdfs:label	eugenol
obo_purl:monoisotopicmass	164.08373
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_25235 http://purl.obolibrary.org/obo/CHEBI_26004

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