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:70267 - aglaiabbreviatin F
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
aglaiabbreviatin F
ChEBI ID
CHEBI:70267
Definition
A tetracyclic triterpenoid (dammarane type) isolated from the stems of
Aglaia abbreviata
.
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
C32H54O5
Net Charge
0
Average Mass
518.76820
Monoisotopic Mass
518.39712
InChI
InChI=1S/C32H54O5/c1-
21(33)
36-
26-
15-
18-
29(6)
24(28(26,4)
5)
14-
20-
31(8)
25(29)
12-
11-
22-
23(13-
19-
30(22,31)
7)
32(9,34)
17-
10-
16-
27(2,3)
37-
35/h10,16,22-
26,34-
35H,11-
15,17-
20H2,1-
9H3/b16-
10+/t22-
,23+,24+,25-
,26-
,29+,30-
,31-
,32+/m1/s1
InChIKey
DHINOQSEHVSVIQ-XWYOUNHXSA-N
SMILES
CC(=O)
O[C@@H]
1CC[C@@]
2(C)
[C@@H]
(CC[C@]
3(C)
[C@@H]
2CC[C@@H]
2[C@H]
(CC[C@@]
32C)
[C@@]
(C)
(O)
C\C=C\C(C)
(C)
OO)
C1(C)
C
Metabolite of Species
Details
Aglaia abbreviata
(IPNI:576946-1)
Found in stem
(BTO:0001300)
. 95% ethanolic extract of air-dried stems 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.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
aglaiabbreviatin F (
CHEBI:70267
)
has role
antineoplastic agent (
CHEBI:35610
)
aglaiabbreviatin F (
CHEBI:70267
)
has role
plant metabolite (
CHEBI:76924
)
aglaiabbreviatin F (
CHEBI:70267
)
is a
acetate ester (
CHEBI:47622
)
aglaiabbreviatin F (
CHEBI:70267
)
is a
peroxol (
CHEBI:35924
)
aglaiabbreviatin F (
CHEBI:70267
)
is a
tertiary alcohol (
CHEBI:26878
)
aglaiabbreviatin F (
CHEBI:70267
)
is a
tetracyclic triterpenoid (
CHEBI:26893
)
IUPAC Name
rel
-
(3
R
,5
R
,8
R
,9
R
,10
R
,13
R
,14
R
,17
S
)-
17-
[(2
S
,4
E
)-
6-
hydroperoxy-
2-
hydroxy-
6-
methylhept-
4-
en-
2-
yl]-
4,4,8,10,14-
pentamethylhexadecahydro-
1
H
-
cyclopenta[
a
]phenanthren-
3-
yl acetate
Registry Number
Type
Source
21155751
Reaxys Registry Number
Reaxys
Citation
Type
Source
21087017
PubMed citation
Europe PMC
Last Modified
10 January 2022