CHEBI:69121 - 2,3-dihydro-3β-methoxy withaferin A

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ChEBI Name 2,3-dihydro-3β-methoxy withaferin A
ChEBI ID CHEBI:69121
ChEBI ASCII Name 2,3-dihydro-3beta-methoxy withaferin A
Definition A withanolide that is 2,3-dihydrowithaferin A substituted by a β-methoxy group at position 3. 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 C29H42O7
Net Charge 0
Average Mass 502.63960
Monoisotopic Mass 502.29305
InChI InChI=1S/C29H42O7/c1-14-10-21(35-26(33)17(14)13-30)15(2)18-6-7-19-16-11-24-29(36-24)25(32)22(34-5)12-23(31)28(29,4)20(16)8-9-27(18,19)3/h15-16,18-22,24-25,30,32H,6-13H2,1-5H3/t15-,16-,18+,19-,20-,21+,22-,24+,25-,27+,28-,29-/m0/s1
InChIKey MKTMIPAPOLDOQT-QAYSIJLNSA-N
SMILES CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C[C@H]3O[C@@]23[C@H]1O)[C@H](C)[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): 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.
(via withanolide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2,3-dihydro-3β-methoxy withaferin A (CHEBI:69121) has functional parent withaferin A (CHEBI:69120)
2,3-dihydro-3β-methoxy withaferin A (CHEBI:69121) has role metabolite (CHEBI:25212)
2,3-dihydro-3β-methoxy withaferin A (CHEBI:69121) has role plant metabolite (CHEBI:76924)
2,3-dihydro-3β-methoxy withaferin A (CHEBI:69121) is a δ-lactone (CHEBI:18946)
2,3-dihydro-3β-methoxy withaferin A (CHEBI:69121) is a 27-hydroxy steroid (CHEBI:37914)
2,3-dihydro-3β-methoxy withaferin A (CHEBI:69121) is a 4-hydroxy steroid (CHEBI:62846)
2,3-dihydro-3β-methoxy withaferin A (CHEBI:69121) is a epoxy steroid (CHEBI:145217)
2,3-dihydro-3β-methoxy withaferin A (CHEBI:69121) is a ergostanoid (CHEBI:50403)
2,3-dihydro-3β-methoxy withaferin A (CHEBI:69121) is a primary alcohol (CHEBI:15734)
2,3-dihydro-3β-methoxy withaferin A (CHEBI:69121) is a secondary alcohol (CHEBI:35681)
2,3-dihydro-3β-methoxy withaferin A (CHEBI:69121) is a withanolide (CHEBI:74716)
IUPAC Name
(3β,4β,5β,6β,22R)-4,27-dihydroxy-3-methoxy-5,6:22,26-diepoxyergost-24-ene-1,26-dione
Synonym Source
Quresimine A ChEBI
Registry Number Type Source
6773328 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22098611 PubMed citation Europe PMC
Last Modified
29 October 2019