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> Main
CHEBI:67477 - lamesticumin D
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ChEBI Name
lamesticumin D
ChEBI ID
CHEBI:67477
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.
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Formula
C30H46O3
Net Charge
0
Average Mass
454.68440
Monoisotopic Mass
454.34470
InChI
InChI=1S/C30H46O3/c1-
18-
9-
12-
23-
27(3,4)
25(32)
13-
15-
29(23,7)
20(18)
10-
11-
21-
19(2)
22(31)
17-
24-
28(5,6)
26(33)
14-
16-
30(21,24)
8/h20,22-
24,31H,1,9-
17H2,2-
8H3/t20-
,22+,23-
,24-
,29+,30+/m0/s1
InChIKey
MGVFDWIGIYHFIO-CKQYGLACSA-N
SMILES
CC1=C(CC[C@H]2C(=C)CC[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2C[C@H]1O
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):
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 D (
CHEBI:67477
)
has role
antibacterial agent (
CHEBI:33282
)
lamesticumin D (
CHEBI:67477
)
has role
metabolite (
CHEBI:25212
)
lamesticumin D (
CHEBI:67477
)
has role
plant metabolite (
CHEBI:76924
)
lamesticumin D (
CHEBI:67477
)
is a
cyclic terpene ketone (
CHEBI:36130
)
lamesticumin D (
CHEBI:67477
)
is a
octahydronaphthalenes (
CHEBI:138397
)
lamesticumin D (
CHEBI:67477
)
is a
secondary alcohol (
CHEBI:35681
)
lamesticumin D (
CHEBI:67477
)
is a
triterpenoid (
CHEBI:36615
)
IUPAC Name
(4a
S
,7
R
,8a
R
)-
7-
hydroxy-
1,1,4a,6-
tetramethyl-
5-
{2-
[(1
S
,4a
R
,8a
R
)-
5,5,8a-
trimethyl-
2-
methylidene-
6-
oxodecahydronaphthalen-
1-
yl]ethyl}-
3,4,4a,7,8,8a-
hexahydronaphthalen-
2(1
H
)-
one
Registry Number
Type
Source
21534279
Reaxys Registry Number
Reaxys
Citation
Type
Source
21401117
PubMed citation
Europe PMC
Last Modified
07 September 2017