Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:78308 - asarone
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
asarone
ChEBI ID
CHEBI:78308
Definition
A phenylpropanoid that is benzene substituted by methoxy groups at positions 1, 2 and 4 and a propen-1-yl group at position 5. It has been isolated from
Acorus
.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C12H16O3
Net Charge
0
Average Mass
208.25360
Monoisotopic Mass
208.10994
InChI
InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3
InChIKey
RKFAZBXYICVSKP-UHFFFAOYSA-N
SMILES
COc1cc(OC)c(C=CC)cc1OC
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
asarone (
CHEBI:78308
)
has role
plant metabolite (
CHEBI:76924
)
asarone (
CHEBI:78308
)
is a
alkenylbenzene (
CHEBI:195237
)
asarone (
CHEBI:78308
)
is a
methoxybenzenes (
CHEBI:51683
)
asarone (
CHEBI:78308
)
is a
phenylpropanoid (
CHEBI:26004
)
Incoming
α-asarone (
CHEBI:78309
)
is a
asarone (
CHEBI:78308
)
β-asarone (
CHEBI:10353
)
is a
asarone (
CHEBI:78308
)
IUPAC Name
1,2,4-trimethoxy-5-(prop-1-en-1-yl)benzene
Synonym
Source
2,4,5-trimethoxy-1-propenylbenzene
ChEBI
Registry Number
Type
Source
2210026
Reaxys Registry Number
Reaxys
Last Modified
24 May 2023