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> Main
CHEBI:9053 - sclareol
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ChEBI Ontology
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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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Read full article at Wikipedia
Formula
C20H36O2
Net Charge
0
Average Mass
308.49860
Monoisotopic Mass
308.27153
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
(1
R
,2
R
,4a
S
,8a
S
)-
1-
[(3
R
)-
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
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