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:67473 - lamesticumin A
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
lamesticumin A
ChEBI ID
CHEBI:67473
Definition
A triterpenoid of the class of onoceranoid-type terpenoids isolated from the twigs of
Lansium domesticum
.
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
C31H50O5
Net Charge
0
Average Mass
502.72570
Monoisotopic Mass
502.36582
InChI
InChI=1S/C31H50O5/c1-
20(2)
23-
12-
10-
21(3)
24(30(23,7)
18-
16-
27(32)
33)
13-
14-
25-
22(4)
11-
15-
26(29(5,6)
35)
31(25,8)
19-
17-
28(34)
36-
9/h10,23-
26,35H,1,4,11-
19H2,2-
3,5-
9H3,(H,32,33)
/t23-
,24-
,25-
,26-
,30-
,31+/m0/s1
InChIKey
WWMHSLBXALTJEY-YTASFOGUSA-N
SMILES
COC(=O)CC[C@]1(C)[C@@H](CC[C@H]2C(C)=CC[C@@H](C(C)=C)[C@]2(C)CCC(O)=O)C(=C)CC[C@H]1C(C)(C)O
Metabolite of Species
Details
Lansium domesticum
(NCBI:txid201017)
Found in twig
(BTO:0001411)
. 95% ethanolic extract of air-dried and powdered twigs See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
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
lamesticumin A (
CHEBI:67473
)
has role
antibacterial agent (
CHEBI:33282
)
lamesticumin A (
CHEBI:67473
)
has role
metabolite (
CHEBI:25212
)
lamesticumin A (
CHEBI:67473
)
has role
plant metabolite (
CHEBI:76924
)
lamesticumin A (
CHEBI:67473
)
is a
dicarboxylic acid monoester (
CHEBI:36244
)
lamesticumin A (
CHEBI:67473
)
is a
hydroxy monocarboxylic acid (
CHEBI:35868
)
lamesticumin A (
CHEBI:67473
)
is a
methyl ester (
CHEBI:25248
)
lamesticumin A (
CHEBI:67473
)
is a
tertiary alcohol (
CHEBI:26878
)
lamesticumin A (
CHEBI:67473
)
is a
triterpenoid (
CHEBI:36615
)
IUPAC Name
rel
-
3-
[(1
S
,2
S
,6
S
)-
2-
{2-
[(1
S
,2
R
,3
R
)-
3-
(2-
hydroxypropan-
2-
yl)-
2-
(3-
methoxy-
3-
oxopropyl)-
2-
methyl-
6-
methylidenecyclohexyl]ethyl}-
1,3-
dimethyl-
6-
(prop-
1-
en-
2-
yl)cyclohex-
3-
en-
1-
yl]propanoic acid
Registry Number
Type
Source
21534282
Reaxys Registry Number
Reaxys
Citation
Type
Source
21401117
PubMed citation
Europe PMC
Last Modified
30 March 2015