CHEBI:66145 - kidjoranin-3-O-β-digitoxopyranoside

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ChEBI Name kidjoranin-3-O-β-digitoxopyranoside
ChEBI ID CHEBI:66145
ChEBI ASCII Name kidjoranin-3-O-beta-digitoxopyranoside
Definition A steroid glycoside isolated from the roots of Cynanchum auriculatum and has been shown to exhibit cytotoxicity against human tumour cell lines.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C36H48O10
Net Charge 0
Average Mass 640.76030
Monoisotopic Mass 640.32475
InChI InChI=1S/C36H48O10/c1-21-31(40)26(38)19-30(44-21)45-25-13-14-32(3)24(18-25)12-15-35(42)27(32)20-28(46-29(39)11-10-23-8-6-5-7-9-23)33(4)34(41,22(2)37)16-17-36(33,35)43/h5-12,21,25-28,30-31,38,40-43H,13-20H2,1-4H3/b11-10+/t21-,25+,26+,27-,28-,30+,31-,32+,33-,34-,35+,36-/m1/s1
InChIKey PIWUFWOLNMAXSJ-WAHAIZDPSA-N
SMILES [H][C@@]1(C[C@H](O)[C@H](O)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)C(C1)=CC[C@]1(O)[C@]2([H])C[C@@H](OC(=O)\C=C\c2ccccc2)[C@]2(C)[C@@](O)(CC[C@]12O)C(C)=O
Metabolite of Species Details
Cynanchum auriculatum (NCBI:txid157409) Found in root (BTO:0001188). 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.
(via saponin )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing kidjoranin-3-O-β-digitoxopyranoside (CHEBI:66145) has parent hydride pregnane (CHEBI:8386)
kidjoranin-3-O-β-digitoxopyranoside (CHEBI:66145) has role antineoplastic agent (CHEBI:35610)
kidjoranin-3-O-β-digitoxopyranoside (CHEBI:66145) has role metabolite (CHEBI:25212)
kidjoranin-3-O-β-digitoxopyranoside (CHEBI:66145) is a 17β-hydroxy steroid (CHEBI:35343)
kidjoranin-3-O-β-digitoxopyranoside (CHEBI:66145) is a cinnamate ester (CHEBI:36087)
kidjoranin-3-O-β-digitoxopyranoside (CHEBI:66145) is a deoxy hexoside (CHEBI:35315)
kidjoranin-3-O-β-digitoxopyranoside (CHEBI:66145) is a methyl ketone (CHEBI:51867)
kidjoranin-3-O-β-digitoxopyranoside (CHEBI:66145) is a steroid ester (CHEBI:47880)
kidjoranin-3-O-β-digitoxopyranoside (CHEBI:66145) is a steroid saponin (CHEBI:61655)
kidjoranin-3-O-β-digitoxopyranoside (CHEBI:66145) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
(3β,12β,14β,17α)-3-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-8,14,17-trihydroxy-20-oxopregn-5-en-12-yl (2E)-3-phenylprop-2-enoate
Synonym Source
Kidjoranin glycoside ChEBI
Registry Number Type Source
15851977 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18401845 PubMed citation Europe PMC
Last Modified
07 February 2018