CHEBI:9053 - sclareol

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ChEBI Name sclareol
ChEBI ID CHEBI:9053
Definition A labdane diterpenoid that is labd-14-ene substituted by hydroxy groups at positions 8 and 13. It has been isolated from Salvia sclarea.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H36O2
Net Charge 0
Average Mass 308.49860
Monoisotopic Mass 308.272
InChI InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1
InChIKey XVULBTBTFGYVRC-HHUCQEJWSA-N
SMILES [H][C@@]12CC[C@@](C)(O)[C@H](CC[C@@](C)(O)C=C)[C@@]1(C)CCCC2(C)C
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing sclareol (CHEBI:9053) has role antifungal agent (CHEBI:35718)
sclareol (CHEBI:9053) has role antimicrobial agent (CHEBI:33281)
sclareol (CHEBI:9053) has role apoptosis inducer (CHEBI:68495)
sclareol (CHEBI:9053) has role fragrance (CHEBI:48318)
sclareol (CHEBI:9053) has role plant metabolite (CHEBI:76924)
sclareol (CHEBI:9053) is a labdane diterpenoid (CHEBI:36770)
IUPAC Names
(1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-en-1-yl]-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol
labd-14-ene-8,13-diol
Synonyms Sources
(13R)-Labd-14-ene-8,13-diol ChemIDplus
sclareol UniProt
Manual Xrefs Databases
C00000894 KNApSAcK
C09183 KEGG COMPOUND
HMDB0036827 HMDB
Sclareol Wikipedia
View more database links
Registry Numbers Types Sources
2054148 Reaxys Registry Number Reaxys
2054148 Beilstein Registry Number Beilstein
515-03-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16527443 PubMed citation Europe PMC
22834731 PubMed citation Europe PMC
23133579 PubMed citation Europe PMC
23502334 PubMed citation Europe PMC
Last Modified
28 July 2014