2,3-dihydro-3beta-methoxy withaferin A (CHEBI:69121)

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

ChEBI ID	CHEBI:69121
ChEBI Name	2,3-dihydro-3β-methoxy withaferin A
Stars
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.
Last Modified	29 October 2019
Downloads	Molfile

Formula	C29H42O7
Net Charge	0
Average Mass	502.648
Monoisotopic Mass	502.29305
SMILES	[H][C@@]12C[C@H]3O[C@]34[C@@H](O)[C@@H](OC)CC(=O)[C@]4(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)[C@@]1([H])CC(C)=C(CO)C(=O)O1
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

Species of Metabolite	Component	Source	Comments
Physalis longifolia (ncbitaxon:161495)	aerial part (BTO:0001658)	PubMed (22098611)	CH2Cl2-MeOH(1:1) extract of the air-dried aerial parts

Roles Classification

Biological Roles:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

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.

ChEBI Ontology

Outgoing Relation(s)
	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 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)
	2,3-dihydro-3β-methoxy withaferin A (CHEBI:69121) is a δ-lactone (CHEBI:18946)

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 Numbers	Sources
Reaxys:6773328	Reaxys

Citations