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:86593 - buddlenol E
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
buddlenol E
ChEBI ID
CHEBI:86593
Definition
A lignan isolated from the seeds of
Euryale ferox
.
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
C31H36O11
Net Charge
0
Average Mass
584.61090
Monoisotopic Mass
584.22576
InChI
InChI=1S/C31H36O11/c1-
36-
23-
9-
16(5-
7-
21(23)
33)
28(35)
27(13-
32)
42-
31-
25(38-
3)
11-
18(12-
26(31)
39-
4)
30-
20-
15-
40-
29(19(20)
14-
41-
30)
17-
6-
8-
22(34)
24(10-
17)
37-
2/h5-
12,19-
20,27-
30,32-
35H,13-
15H2,1-
4H3
InChIKey
DVTIDVKFFJRCAB-UHFFFAOYSA-N
SMILES
COc1cc(ccc1O)C(O)C(CO)Oc1c(OC)cc(cc1OC)C1OCC2C1COC2c1ccc(O)c(OC)c1
Metabolite of Species
Details
Euryale ferox
(NCBI:txid4414)
Found in seed
(BTO:0001226)
. See:
PubMed
Roles Classification
Chemical Role
(s):
antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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
buddlenol E (
CHEBI:86593
)
has role
antioxidant (
CHEBI:22586
)
buddlenol E (
CHEBI:86593
)
has role
plant metabolite (
CHEBI:76924
)
buddlenol E (
CHEBI:86593
)
is a
guaiacols (
CHEBI:134251
)
buddlenol E (
CHEBI:86593
)
is a
lignan (
CHEBI:25036
)
IUPAC Name
1-
(4-
hydroxy-
3-
methoxyphenyl)-
2-
{4-
[4-
(4-
hydroxy-
3-
methoxyphenyl)tetrahydro-
1
H
,3
H
-
furo[3,4-
c
]furan-
1-
yl]-
2,6-
dimethoxyphenoxy}propane-
1,3-
diol
Synonym
Source
G(8-O-4)S(8-8)G
ChEBI
Registry Number
Type
Source
6553466
Reaxys Registry Number
Reaxys
Citations
Types
Sources
21280632
PubMed citation
Europe PMC
21675726
PubMed citation
Europe PMC
24022762
PubMed citation
Europe PMC
Last Modified
07 April 2017