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CHEBI:172925 - β-acoradiene
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ChEBI Name
β-acoradiene
ChEBI ID
CHEBI:172925
ChEBI ASCII Name
beta-acoradiene
Definition
A spiro compound that is 1,8-dimethyl-4-(prop-1-en-2-yl)spiro[4.5]decane that has been dehydrogenated to introduce a double bond at position 8-9 (the 1
R
,4
S
,5
R
isomer).
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Tereza Calounova
Supplier Information
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Formula
C15H24
Net Charge
0
Average Mass
204.357
Monoisotopic Mass
204.18780
InChI
InChI=1S/C15H24/c1-
11(2)
14-
6-
5-
13(4)
15(14)
9-
7-
12(3)
8-
10-
15/h7,13-
14H,1,5-
6,8-
10H2,2-
4H3/t13-
,14+,15+/m1/s1
InChIKey
DVBSKQAFCDJNSL-ILXRZTDVSA-N
SMILES
C[C@@H]1CC[C@@H](C(C)=C)[C@@]11CCC(C)=CC1
Metabolite of Species
Details
Plinia cerrocampanensis
(IPNI:60437850-2)
Found in leaf
(BTO:0000713)
. See:
DOI
Chaerophyllum macropodum
(NCBI:txid109103)
See:
DOI
Casearia sylvestris
(NCBI:txid112817)
Found in leaf
(BTO:0000713)
. See:
PubMed
Helichrysum italicum
(NCBI:txid261786)
See:
PubMed
Acorus calamus
(NCBI:txid4465)
See:
PubMed
Kielmeyera coriacea
(NCBI:txid639202)
Found in bark
(BTO:0001301)
. See:
PubMed
Juniperus rigida
(NCBI:txid99809)
See: Book: Dictionary of natural products, volume 1 A-C, Chapman & Hall, page 57, A-00310.
Roles Classification
Biological Role
(s):
volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
β-acoradiene (
CHEBI:172925
)
has role
volatile oil component (
CHEBI:27311
)
β-acoradiene (
CHEBI:172925
)
is a
sesquiterpene (
CHEBI:35189
)
β-acoradiene (
CHEBI:172925
)
is a
spiro compound (
CHEBI:33599
)
IUPAC Name
(1
R
,4
S
,5
R
)-1,8-dimethyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-ene
Synonyms
Sources
(−)-β- acoradiene
ChEBI
(1
R
,4
S
,5
R
)-1,8-dimethyl-4-(1-methylethenyl)spiro[4.5]dec-7-ene
ChEBI
beta-acoradiene
SUBMITTER
β-acoradiene
UniProt
Manual Xrefs
Databases
C00021580
KNApSAcK
CPD-8240
MetaCyc
View more database links
Registry Number
Type
Source
28477-64-7
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
15994044
PubMed citation
Europe PMC
24517311
PubMed citation
Europe PMC
25960759
PubMed citation
Europe PMC
Last Modified
10 August 2022