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:

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.

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.

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
C09183	KEGG COMPOUND
HMDB0036827	HMDB
Sclareol	Wikipedia
C00000894	KNApSAcK

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

Citations