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ChEBI
> Main
CHEBI:67368 - pisonolic acid
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ChEBI Name
pisonolic acid
ChEBI ID
CHEBI:67368
Definition
A pentacyclic triterpenoid that is the 23-monomethyl ester of gypsogenic acid. It has been isolated from
Pisonia aculeata
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C31H48O5
Net Charge
0
Average Mass
500.70980
Monoisotopic Mass
500.35017
InChI
InChI=1S/C31H48O5/c1-
26(2)
14-
16-
31(24(33)
34)
17-
15-
28(4)
19(20(31)
18-
26)
8-
9-
21-
27(3)
12-
11-
23(32)
30(6,25(35)
36-
7)
22(27)
10-
13-
29(21,28)
5/h8,20-
23,32H,9-
18H2,1-
7H3,(H,33,34)
/t20-
,21+,22+,23-
,27+,28+,29+,30-
,31-
/m0/s1
InChIKey
ZTADBTFVRJWIEY-KPKOFJSASA-N
SMILES
COC(=O)
[C@]
1(C)
[C@@H]
(O)
CC[C@@]
2(C)
[C@H]
1CC[C@]
1(C)
[C@@H]
2CC=C2[C@@H]
3CC(C)
(C)
CC[C@@]
3(CC[C@@]
12C)
C(O)
=O
Metabolite of Species
Details
Pisonia aculeata
(NCBI:txid363212)
Found in root
(BTO:0001188)
. Cold methanolic extract of dried stems and roots See:
PubMed
Pisonia aculeata
(NCBI:txid363212)
Found in stem
(BTO:0001300)
. Cold methanolic extract of dried stems and roots 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.
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
pisonolic acid (
CHEBI:67368
)
has functional parent
gypsogenic acid (
CHEBI:71531
)
pisonolic acid (
CHEBI:67368
)
has parent hydride
oleanane (
CHEBI:36481
)
pisonolic acid (
CHEBI:67368
)
has role
metabolite (
CHEBI:25212
)
pisonolic acid (
CHEBI:67368
)
has role
plant metabolite (
CHEBI:76924
)
pisonolic acid (
CHEBI:67368
)
is a
carboxylic ester (
CHEBI:33308
)
pisonolic acid (
CHEBI:67368
)
is a
hydroxy carboxylic acid (
CHEBI:24669
)
pisonolic acid (
CHEBI:67368
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
IUPAC Name
(3β)-3-hydroxy-23-methoxy-23-oxoolean-12-en-28-oic acid
Synonyms
Sources
gypsogenic acid 23-monomethyl ester
ChEBI
oleananic acid 23α-methylcarboxylate
ChEBI
Registry Number
Type
Source
5781597
Reaxys Registry Number
Reaxys
Citation
Type
Source
21542597
PubMed citation
Europe PMC
Last Modified
20 November 2013