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ChEBI
> Main
CHEBI:69528 - 4-epihederagenin
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ChEBI Name
4-epihederagenin
ChEBI ID
CHEBI:69528
Definition
A pentacyclic triterpenoid that is the
C
-4 epimer of hederagenin. It has been isolated from the roots of
Rubia yunnanensis
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C30H48O4
Net Charge
0
Average Mass
472.69970
Monoisotopic Mass
472.35526
InChI
InChI=1S/C30H48O4/c1-
25(2)
13-
15-
30(24(33)
34)
16-
14-
28(5)
19(20(30)
17-
25)
7-
8-
22-
26(3)
11-
10-
23(32)
27(4,18-
31)
21(26)
9-
12-
29(22,28)
6/h7,20-
23,31-
32H,8-
18H2,1-
6H3,(H,33,34)
/t20-
,21+,22+,23-
,26-
,27+,28+,29+,30-
/m0/s1
InChIKey
PGOYMURMZNDHNS-YGUUOLNVSA-N
SMILES
CC1(C)
CC[C@@]
2(CC[C@]
3(C)
C(=CC[C@@H]
4[C@@]
5(C)
CC[C@H]
(O)
[C@]
(C)
(CO)
[C@@H]
5CC[C@@]
34C)
[C@@H]
2C1)
C(O)
=O
Metabolite of Species
Details
Rubia yunnanensis
(IPNI:765385-1)
Found in root
(BTO:0001188)
. Methanolic extract of air dried powdered 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):
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
4-epihederagenin (
CHEBI:69528
)
has functional parent
oleanolic acid (
CHEBI:37659
)
4-epihederagenin (
CHEBI:69528
)
has parent hydride
oleanane (
CHEBI:36481
)
4-epihederagenin (
CHEBI:69528
)
has role
plant metabolite (
CHEBI:76924
)
4-epihederagenin (
CHEBI:69528
)
is a
dihydroxy monocarboxylic acid (
CHEBI:35972
)
4-epihederagenin (
CHEBI:69528
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
4-epihederagenin (
CHEBI:69528
)
is a
sapogenin (
CHEBI:26606
)
IUPAC Name
3β,24-dihydroxyolean-12-en-28-oic acid
Registry Number
Type
Source
2711856
Reaxys Registry Number
Reaxys
Citations
Types
Sources
20387830
PubMed citation
Europe PMC
21973054
PubMed citation
Europe PMC
Last Modified
09 January 2014