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:132864 - corianin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
corianin
ChEBI ID
CHEBI:132864
Definition
A sesquiterpene lactone containing an epoxide group and two tertiary hydroxy groups that has been isolated from the fruits of
Coriaria ruscifolia
and
Coriaria japonica
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
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
C15H18O6
Net Charge
0
Average Mass
294.300
Monoisotopic Mass
294.11034
InChI
InChI=1S/C15H18O6/c1-
5(2)
6-
7-
12(16)
20-
8(6)
9-
13(3)
14(17,4-
19-
9)
10-
11(21-
10)
15(7,13)
18/h6-
11,17-
18H,1,4H2,2-
3H3/t6-
,7+,8+,9+,10+,11-
,13-
,14+,15-
/m0/s1
InChIKey
IKTUZVAVHCTHSU-ULZPOIKGSA-N
SMILES
O1[C@@H]2[C@]3(O)[C@@]4([C@](O)([C@H]12)CO[C@@]4([C@@]5(OC(=O)[C@]3([C@@H]5C(C)=C)[H])[H])[H])C
Metabolite of Species
Details
Loranthus parasiticus ( L. ) Merr.
(IPNI:549945-1)
Found in fruit
(BTO:0000486)
. See:
PubMed
Coriaria japonica
(NCBI:txid79757)
Found in fruit
(BTO:0000486)
. See:
PubMed
Coriaria ruscifolia
(NCBI:txid79762)
Found in fruit
(BTO:0000486)
. 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
corianin (
CHEBI:132864
)
has role
plant metabolite (
CHEBI:76924
)
corianin (
CHEBI:132864
)
is a
bridged compound (
CHEBI:35990
)
corianin (
CHEBI:132864
)
is a
diol (
CHEBI:23824
)
corianin (
CHEBI:132864
)
is a
epoxide (
CHEBI:32955
)
corianin (
CHEBI:132864
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
corianin (
CHEBI:132864
)
is a
sesquiterpene lactone (
CHEBI:37667
)
corianin (
CHEBI:132864
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
(2a
S
,3
R
,6
S
,6a
R
,6b
S
,7a
R
,7b
R
,7c
R
,8
R
)-
6a,7b-
dihydroxy-
7c-
methyl-
8-
(prop-
1-
en-
2-
yl)octahydro-
3,6-
methano-
2,4,7-
trioxacyclopenta[
cd
]cyclopropa[
a
]azulen-
5(1
H
)-
one
Manual Xref
Database
C00021364
KNApSAcK
View more database links
Registry Numbers
Types
Sources
1260590
Reaxys Registry Number
Reaxys
35481-77-7
CAS Registry Number
ChemIDplus
Citations
Types
Sources
11429254
PubMed citation
Europe PMC
16079545
PubMed citation
Europe PMC
24467533
PubMed citation
Europe PMC
3594649
PubMed citation
Europe PMC
642288
Chinese Abstracts citation
Europe PMC
647398
Chinese Abstracts citation
Europe PMC
Last Modified
30 January 2017