xibornol (CHEBI:131713)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	xibornol

ChEBI ID	CHEBI:131713

Definition	A bridged compound that is 3,4-xylenol carrying an additional isobornyl substituent at position 6. A lipophilic antibacterial drug mainly used in spray dosage forms for the local treatment of infection and inflammation of the throat.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Kevin

Supplier Information

Download	Molfile XML SDF

more structures >>

Wikipedia	License

Read full article at Wikipedia

Formula

C18H26O

Net Charge

Average Mass

258.399

Monoisotopic Mass

258.19837

InChI

InChI=1S/C18H26O/c1-11-8-14(16(19)9-12(11)2)15-10-13-6-7-18(15,5)17(13,3)4/h8-9,13,15,19H,6-7,10H2,1-5H3/t13-,15+,18+/m1/s1

InChIKey

RNRHMQWZFJXKLZ-XUWXXGDYSA-N

SMILES

[C@]12(CC[C@@](C1(C)C)(C[C@H]2C3=C(C=C(C(=C3)C)C)O)[H])C

Roles Classification
Biological Role(s):	antibacterial drug A drug used to treat or prevent bacterial infections.

Application(s):	antibacterial drug A drug used to treat or prevent bacterial infections.

ChEBI Ontology
Outgoing	xibornol (CHEBI:131713) has parent hydride bornane (CHEBI:35783) xibornol (CHEBI:131713) has role antibacterial drug (CHEBI:36047) xibornol (CHEBI:131713) is a bridged compound (CHEBI:35990) xibornol (CHEBI:131713) is a phenols (CHEBI:33853)

IUPAC Name

4,5-dimethyl-2-[(1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]phenol

Synonyms	Sources
(exo)-4,5-Dimethyl-2-(1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)phenol	ChemIDplus
6-Isobornyl-3,4-xylenol	ChemIDplus

Last Modified

22 February 2017