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:9401 - taraxasterol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
taraxasterol
ChEBI ID
CHEBI:9401
Definition
A pentacyclic triterpenoid that is taraxastane with a β-hydroxy group at position 3.
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
C30H50O
Net Charge
0
Average Mass
426.71740
Monoisotopic Mass
426.38617
InChI
InChI=1S/C30H50O/c1-
19-
11-
14-
27(5)
17-
18-
29(7)
21(25(27)
20(19)
2)
9-
10-
23-
28(6)
15-
13-
24(31)
26(3,4)
22(28)
12-
16-
30(23,29)
8/h20-
25,31H,1,9-
18H2,2-
8H3/t20-
,21-
,22+,23-
,24+,25-
,27-
,28+,29-
,30-
/m1/s1
InChIKey
XWMMEBCFHUKHEX-ZJJHUPNDSA-N
SMILES
C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CCC1=C
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):
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
taraxasterol (
CHEBI:9401
)
has parent hydride
taraxastane (
CHEBI:72618
)
taraxasterol (
CHEBI:9401
)
has role
anti-inflammatory agent (
CHEBI:67079
)
taraxasterol (
CHEBI:9401
)
has role
metabolite (
CHEBI:25212
)
taraxasterol (
CHEBI:9401
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
taraxasterol (
CHEBI:9401
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
(3β,18α,19α)-urs-20(30)-en-3-ol
Synonyms
Sources
α-lactucerol
HMDB
isolactucerol
ChemIDplus
taraxasterin
HMDB
Taraxasterol
KEGG COMPOUND
Manual Xrefs
Databases
C00003757
KNApSAcK
C08636
KEGG COMPOUND
CPD-6949
MetaCyc
HMDB0035920
HMDB
LMPR0106180006
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1059-14-9
CAS Registry Number
KEGG COMPOUND
1059-14-9
CAS Registry Number
ChemIDplus
Citations
Types
Sources
10408235
PubMed citation
Europe PMC
15640948
PubMed citation
Europe PMC
22366673
PubMed citation
Europe PMC
22608078
PubMed citation
Europe PMC
23148482
PubMed citation
Europe PMC
Last Modified
04 August 2014