sclareol (CHEBI:9053)

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CHEBI:9053 - sclareol

ChEBI ID	CHEBI:9053
ChEBI Name	sclareol
Stars
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.
Last Modified	28 July 2014
Downloads	Molfile

Formula	C20H36O2
Net Charge	0
Average Mass	308.506
Monoisotopic Mass	308.27153
SMILES	[H][C@@]12CC[C@@](C)(O)[C@H](CC[C@@](C)(O)C=C)[C@@]1(C)CCCC2(C)C
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

Wikipedia

Roles Classification

Biological Roles:

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.

apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.

Application:

fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.

ChEBI Ontology

Outgoing Relation(s)
	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

Synonym	Source
(13R)-Labd-14-ene-8,13-diol	ChemIDplus

UniProt Name	Source
sclareol	UniProt

Manual Xrefs	Databases
C00000894	KNApSAcK
C09183	KEGG COMPOUND
HMDB0036827	HMDB
Sclareol	Wikipedia

Registry Numbers	Sources
Reaxys:2054148	Reaxys
CAS:515-03-7	KEGG COMPOUND
CAS:515-03-7	ChemIDplus

Citations