CHEBI:66329 - 17α-hydroxywithanolide D

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ChEBI Name 17α-hydroxywithanolide D
ChEBI ID CHEBI:66329
ChEBI ASCII Name 17alpha-hydroxywithanolide D
Definition A withanolide that is the 17α-hydroxy derivative of withanolide D. Isolated from Tubocapsicum anomalum and Withania somnifera, it exhibits cytotoxic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H38O7
Net Charge 0
Average Mass 486.59710
Monoisotopic Mass 486.26175
InChI InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17-,18-,20-,21+,22+,24-,25-,26-,27+,28+/m0/s1
InChIKey JVEUOKCSZLCPOI-IBELMYMKSA-N
SMILES CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C
Metabolite of Species Details
Withania somnifera (NCBI:txid126910) Found in leaf (BTO:0000713). See: DOI
Tubocapsicum anomalum (NCBI:txid180580) 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 )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 17α-hydroxywithanolide D (CHEBI:66329) has functional parent withanolide D (CHEBI:10041)
17α-hydroxywithanolide D (CHEBI:66329) has role antineoplastic agent (CHEBI:35610)
17α-hydroxywithanolide D (CHEBI:66329) is a δ-lactone (CHEBI:18946)
17α-hydroxywithanolide D (CHEBI:66329) is a 17α-hydroxy steroid (CHEBI:35342)
17α-hydroxywithanolide D (CHEBI:66329) is a 20-hydroxy steroid (CHEBI:36854)
17α-hydroxywithanolide D (CHEBI:66329) is a 4-hydroxy steroid (CHEBI:62846)
17α-hydroxywithanolide D (CHEBI:66329) is a enone (CHEBI:51689)
17α-hydroxywithanolide D (CHEBI:66329) is a epoxy steroid (CHEBI:145217)
17α-hydroxywithanolide D (CHEBI:66329) is a ergostanoid (CHEBI:50403)
17α-hydroxywithanolide D (CHEBI:66329) is a secondary alcohol (CHEBI:35681)
17α-hydroxywithanolide D (CHEBI:66329) is a tertiary alcohol (CHEBI:26878)
17α-hydroxywithanolide D (CHEBI:66329) is a withanolide (CHEBI:74716)
IUPAC Name
(4β,5β,6β,22R)-4,17,20-trihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
Synonym Source
4β,17α,20α-trihydroxy-1-oxo-5β,6β-epoxy-20S,22R-witha-2,24-dienolide ChEBI
Registry Number Type Source
11130253 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17417907 PubMed citation Europe PMC
Last Modified
29 October 2019