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CHEBI:69124 - 2,3-dihydrowithaferin A
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ChEBI Ontology
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ChEBI Name
2,3-dihydrowithaferin A
ChEBI ID
CHEBI:69124
Definition
A withanolide that is the 2,3-dihydro derivative of withaferin A. It has been isolated from the aerial parts of
Physalis longifolia
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C28H40O6
Net Charge
0
Average Mass
472.61360
Monoisotopic Mass
472.28249
InChI
InChI=1S/C28H40O6/c1-
14-
11-
21(33-
25(32)
17(14)
13-
29)
15(2)
18-
5-
6-
19-
16-
12-
24-
28(34-
24)
23(31)
8-
7-
22(30)
27(28,4)
20(16)
9-
10-
26(18,19)
3/h15-
16,18-
21,23-
24,29,31H,5-
13H2,1-
4H3/t15-
,16-
,18+,19-
,20-
,21+,23-
,24+,26+,27-
,28+/m0/s1
InChIKey
YRXCLNDPESBJHL-CKNDUULBSA-N
SMILES
C[C@@H]
([C@H]
1CC[C@H]
2[C@@H]
3C[C@H]
4O[C@]
44[C@@H]
(O)
CCC(=O)
[C@]
4(C)
[C@H]
3CC[C@]
12C)
[C@H]
1CC(C)
=C(CO)
C(=O)
O1
Metabolite of Species
Details
Physalis longifolia
(NCBI:txid161495)
Found in aerial part
(BTO:0001658)
. CH2Cl2-MeOH(1:1) extract of the air-dried aerial parts 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.
(via
withanolide
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2,3-dihydrowithaferin A (
CHEBI:69124
)
has functional parent
withaferin A (
CHEBI:69120
)
2,3-dihydrowithaferin A (
CHEBI:69124
)
has role
plant metabolite (
CHEBI:76924
)
2,3-dihydrowithaferin A (
CHEBI:69124
)
is a
δ-lactone (
CHEBI:18946
)
2,3-dihydrowithaferin A (
CHEBI:69124
)
is a
27-hydroxy steroid (
CHEBI:37914
)
2,3-dihydrowithaferin A (
CHEBI:69124
)
is a
4-hydroxy steroid (
CHEBI:62846
)
2,3-dihydrowithaferin A (
CHEBI:69124
)
is a
epoxy steroid (
CHEBI:145217
)
2,3-dihydrowithaferin A (
CHEBI:69124
)
is a
ergostanoid (
CHEBI:50403
)
2,3-dihydrowithaferin A (
CHEBI:69124
)
is a
primary alcohol (
CHEBI:15734
)
2,3-dihydrowithaferin A (
CHEBI:69124
)
is a
secondary alcohol (
CHEBI:35681
)
2,3-dihydrowithaferin A (
CHEBI:69124
)
is a
withanolide (
CHEBI:74716
)
IUPAC Name
(22
R
)-4β,27-dihydroxy-5β,6β:22,26-diepoxyergost-24-ene-1,26-dione
Registry Number
Type
Source
6543749
Reaxys Registry Number
Reaxys
Citation
Type
Source
22098611
PubMed citation
Europe PMC
Last Modified
29 October 2019