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:80832 - glycyrol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
glycyrol
ChEBI ID
CHEBI:80832
Definition
A member of the class of coumestans that is coumestan substituted by hydroxy groups at positions 1 and 9, a methoxy group at position 3 and a prenyl group at position 2 respectively.
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
more structures >>
Molfile
Formula
C21H18O6
Net Charge
0
Average Mass
366.36400
Monoisotopic Mass
366.11034
InChI
InChI=1S/C21H18O6/c1-
10(2)
4-
6-
12-
14(23)
9-
16-
18(19(12)
25-
3)
20-
17(21(24)
27-
16)
13-
7-
5-
11(22)
8-
15(13)
26-
20/h4-
5,7-
9,22-
23H,6H2,1-
3H3
InChIKey
LWESBHWAOZORCQ-UHFFFAOYSA-N
SMILES
COc1c(CC=C(C)C)c(O)cc2oc(=O)c3c4ccc(O)cc4oc3c12
Metabolite of Species
Details
Glycyrrhiza uralensis
(NCBI:txid74613)
See:
PubMed
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.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
glycyrol (
CHEBI:80832
)
has functional parent
coumestan (
CHEBI:72578
)
glycyrol (
CHEBI:80832
)
has role
antineoplastic agent (
CHEBI:35610
)
glycyrol (
CHEBI:80832
)
has role
plant metabolite (
CHEBI:76924
)
glycyrol (
CHEBI:80832
)
is a
δ-lactone (
CHEBI:18946
)
glycyrol (
CHEBI:80832
)
is a
aromatic ether (
CHEBI:35618
)
glycyrol (
CHEBI:80832
)
is a
coumestans (
CHEBI:72577
)
glycyrol (
CHEBI:80832
)
is a
polyphenol (
CHEBI:26195
)
IUPAC Name
3,9-
dihydroxy-
1-
methoxy-
2-
(3-
methylbut-
2-
en-
1-
yl)-
6
H
-
[1]benzofuro[3,2-
c
][1]benzopyran-
6-
one
Synonyms
Sources
1,9-Dihydroxy-3-methoxy-2-prenylcoumestan
KNApSAcK
Neoglycyrol
KEGG COMPOUND
Manual Xrefs
Databases
C00009777
KNApSAcK
C16968
KEGG COMPOUND
HMDB0033882
HMDB
LMPK12090044
LIPID MAPS
View more database links
Registry Number
Type
Source
23013-84-5
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
25445757
PubMed citation
Europe PMC
25614969
PubMed citation
Europe PMC
Last Modified
12 June 2015