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:67484 - methyl lansiolate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
methyl lansiolate
ChEBI ID
CHEBI:67484
Definition
A triterpenoid that is the methyl ester of lansiolic acid. It has been 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
C31H50O3
Net Charge
0
Average Mass
470.72690
Monoisotopic Mass
470.37600
InChI
InChI=1S/C31H50O3/c1-
20(2)
23-
12-
10-
21(3)
24(30(23,7)
19-
17-
28(33)
34-
9)
13-
14-
25-
22(4)
11-
15-
26-
29(5,6)
27(32)
16-
18-
31(25,26)
8/h10,23-
27,32H,1,4,11-
19H2,2-
3,5-
9H3/t23-
,24-
,25-
,26-
,27-
,30-
,31+/m0/s1
InChIKey
UCRMFRXIRGKEPT-NGVCODNXSA-N
SMILES
COC(=O)CC[C@]1(C)[C@@H](CC[C@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)C(C)=CC[C@H]1C(C)=C
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
Biological Role
(s):
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
methyl lansiolate (
CHEBI:67484
)
has functional parent
lansiolic acid (
CHEBI:67483
)
methyl lansiolate (
CHEBI:67484
)
has role
antibacterial agent (
CHEBI:33282
)
methyl lansiolate (
CHEBI:67484
)
has role
plant metabolite (
CHEBI:76924
)
methyl lansiolate (
CHEBI:67484
)
is a
methyl ester (
CHEBI:25248
)
methyl lansiolate (
CHEBI:67484
)
is a
secondary alcohol (
CHEBI:35681
)
methyl lansiolate (
CHEBI:67484
)
is a
triterpenoid (
CHEBI:36615
)
IUPAC Name
methyl 3-
[(1
S
,2
S
,6
S
)-
2-
{2-
[(1
S
,4a
R
,6
S
,8a
R
)-
6-
hydroxy-
5,5,8a-
trimethyl-
2-
methylidenedecahydronaphthalen-
1-
yl]ethyl}-
1,3-
dimethyl-
6-
(prop-
1-
en-
2-
yl)cyclohex-
3-
en-
1-
yl]propanoate
Registry Number
Type
Source
4724977
Reaxys Registry Number
Reaxys
Citation
Type
Source
21401117
PubMed citation
Europe PMC
Last Modified
06 March 2015