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> Main
CHEBI:48741 - β-phellandrene
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ChEBI Ontology
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ChEBI Name
β-phellandrene
ChEBI ID
CHEBI:48741
ChEBI ASCII Name
beta-phellandrene
Definition
One of a pair of phellandrene cyclic monoterpene double-bond isomers in which one double bond is exocyclic (
cf
. α-phellandrene, where both of them are endoocyclic).
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:546332
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Formula
C10H16
Net Charge
0
Average Mass
136.23404
Monoisotopic Mass
136.12520
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3
InChIKey
LFJQCDVYDGGFCH-UHFFFAOYSA-N
SMILES
CC(C)C1CCC(=C)C=C1
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
β-phellandrene (
CHEBI:48741
)
has role
plant metabolite (
CHEBI:76924
)
β-phellandrene (
CHEBI:48741
)
is a
phellandrene (
CHEBI:50034
)
Incoming
(−)-β-phellandrene (
CHEBI:129
)
is a
β-phellandrene (
CHEBI:48741
)
(+)-β-phellandrene (
CHEBI:53
)
is a
β-phellandrene (
CHEBI:48741
)
IUPAC Names
3-methylidene-6-(propan-2-yl)cyclohex-1-ene
p
-mentha-1(7),2-diene
Synonyms
Sources
2-
p
-menthadiene
ChemIDplus
3-isopropyl-6-methylene-1-cyclohexene
NIST Chemistry WebBook
3-methylene-6-(1-methylethyl)cyclohexene
ChemIDplus
4-isopropyl-1-methylene-2-cyclohexene
ChemIDplus
β-Phellandren
ChEBI
beta-phellandrene
ChEMBL
β-phellandrene
UniProt
Manual Xrefs
Databases
Beta-phellandrene
MetaCyc
HMDB0036081
HMDB
View more database links
Registry Numbers
Types
Sources
2038351
Reaxys Registry Number
Reaxys
2038351
Beilstein Registry Number
Beilstein
555-10-2
CAS Registry Number
ChemIDplus
555-10-2
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
16780354
PubMed citation
Europe PMC
22978237
PubMed citation
Europe PMC
23074920
PubMed citation
Europe PMC
23162914
PubMed citation
Europe PMC
23285820
PubMed citation
Europe PMC
23472478
PubMed citation
Europe PMC
23659167
PubMed citation
Europe PMC
23738471
PubMed citation
Europe PMC
24354204
PubMed citation
Europe PMC
24427963
PubMed citation
Europe PMC
24617143
PubMed citation
Europe PMC
24689308
PubMed citation
Europe PMC
25115100
PubMed citation
Europe PMC
25230518
PubMed citation
Europe PMC
8460944
PubMed citation
Europe PMC
Last Modified
23 October 2015