CHEBI:69124 - 2,3-dihydrowithaferin A

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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.
Supplier Information
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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
(22R)-4β,27-dihydroxy-5β,6β:22,26-diepoxyergost-24-ene-1,26-dione
Registry Number Type Source
6543749 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22098611 PubMed citation Europe PMC
Last Modified
29 October 2019