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:66100 - ixerochinolide
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
ixerochinolide
ChEBI ID
CHEBI:66100
Definition
A sesquiterpene lactone isolated from
Ixeris chinensis
and has been shown to exhibit cytotoxic activity against human PC-3 tumor cells.
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
C23H24O6
Net Charge
0
Average Mass
396.43310
Monoisotopic Mass
396.15729
InChI
InChI=1S/C23H24O6/c1-
11-
8-
18(28-
19(26)
9-
14-
4-
6-
15(24)
7-
5-
14)
21-
13(3)
23(27)
29-
22(21)
20-
12(2)
17(25)
10-
16(11)
20/h4-
7,16-
18,20-
22,24-
25H,1-
3,8-
10H2/t16-
,17-
,18+,20-
,21+,22+/m0/s1
InChIKey
BBTINGNPUAXELD-QPOFKBRPSA-N
SMILES
[H][C@@]12C[C@H](O)C(=C)[C@]1([H])[C@@]1([H])OC(=O)C(=C)[C@]1([H])[C@@H](CC2=C)OC(=O)Cc1ccc(O)cc1
Metabolite of Species
Details
Ixeris chinensis
(NCBI:txid318058)
Found in whole plant
(BTO:0001461)
. See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ixerochinolide (
CHEBI:66100
)
has functional parent
4-hydroxyphenylacetic acid (
CHEBI:18101
)
ixerochinolide (
CHEBI:66100
)
has role
antineoplastic agent (
CHEBI:35610
)
ixerochinolide (
CHEBI:66100
)
has role
metabolite (
CHEBI:25212
)
ixerochinolide (
CHEBI:66100
)
is a
carboxylic ester (
CHEBI:33308
)
ixerochinolide (
CHEBI:66100
)
is a
phenols (
CHEBI:33853
)
ixerochinolide (
CHEBI:66100
)
is a
secondary alcohol (
CHEBI:35681
)
ixerochinolide (
CHEBI:66100
)
is a
sesquiterpene lactone (
CHEBI:37667
)
IUPAC Name
(3a
R
,4
R
,6a
R
,8
S
,9a
R
,9b
R
)-
8-
hydroxy-
3,6,9-
trimethylidene-
2-
oxododecahydroazuleno[4,5-
b
]furan-
4-
yl (4-
hydroxyphenyl)acetate
Synonym
Source
8-
O
-
p
-hydroxyphenylacetylintegrifolin
ChEBI
Registry Number
Type
Source
10126830
Reaxys Registry Number
Reaxys
Citation
Type
Source
15635221
PubMed citation
Europe PMC
Last Modified
04 March 2013