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:68370 - trichanolide
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
trichanolide
ChEBI ID
CHEBI:68370
Definition
A limonoid based on a mexicanolide-type skeleton isolated from
Trichilia connaroides
.
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
C32H42O10
Net Charge
0
Average Mass
586.66990
Monoisotopic Mass
586.27780
InChI
InChI=1S/C32H42O10/c1-
8-
16(2)
24(35)
41-
26-
28(3,4)
19(13-
21(33)
38-
7)
30(6)
18-
9-
11-
29(5)
20(32(18)
27(42-
32)
31(26,37)
25(30)
36)
14-
22(34)
40-
23(29)
17-
10-
12-
39-
15-
17/h10,12,15-
16,18-
20,23,26-
27,37H,8-
9,11,13-
14H2,1-
7H3/t16?,18-
,19+,20-
,23+,26+,27-
,29-
,30-
,31+,32-
/m1/s1
InChIKey
QTIFIEXYFZYUMD-FIZZZUNNSA-N
SMILES
CCC(C)
C(=O)
O[C@H]
1C(C)
(C)
[C@H]
(CC(=O)
OC)
[C@@]
2(C)
[C@H]
3CC[C@]
4(C)
[C@@H]
(CC(=O)
O[C@H]
4c4ccoc4)
[C@]
33O[C@@H]
3[C@]
1(O)
C2=O
Metabolite of Species
Details
Trichilia connaroides
(IPNI:579388-1)
Found in leaf
(BTO:0000713)
. Methanolic extract of air-dried, powdered leaves See:
PubMed
Roles Classification
Biological Role
(s):
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
trichanolide (
CHEBI:68370
)
has functional parent
2-methylbutyric acid (
CHEBI:37070
)
trichanolide (
CHEBI:68370
)
has role
plant metabolite (
CHEBI:76924
)
trichanolide (
CHEBI:68370
)
is a
δ-lactone (
CHEBI:18946
)
trichanolide (
CHEBI:68370
)
is a
bridged compound (
CHEBI:35990
)
trichanolide (
CHEBI:68370
)
is a
furans (
CHEBI:24129
)
trichanolide (
CHEBI:68370
)
is a
limonoid (
CHEBI:39434
)
trichanolide (
CHEBI:68370
)
is a
methyl ester (
CHEBI:25248
)
trichanolide (
CHEBI:68370
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
trichanolide (
CHEBI:68370
)
is a
tertiary α-hydroxy ketone (
CHEBI:139592
)
IUPAC Name
(4
R
,4a
R
,6a
R
,7
S
,8
S
,10
S
,11
S
,11a
R
,12a
S
,12b
R
)-
4-
(furan-
3-
yl)-
11-
hydroxy-
8-
(2-
methoxy-
2-
oxoethyl)-
4a,7,9,9-
tetramethyl-
2,13-
dioxododecahydro-
2
H
,4
H
-
7,11-
methanooxireno[1,8]cycloocta[1,2-
f
]isochromen-
10-
yl 2-
methylbutanoate
Registry Number
Type
Source
21299037
Reaxys Registry Number
Reaxys
Citation
Type
Source
21268637
PubMed citation
Europe PMC
Last Modified
07 February 2018