CHEBI:72849 - agigenin

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ChEBI Name agigenin
Definition An oxaspiro compound that is (25R)-5α-spirostan substituted by hydroxy groups at positions 2, 3 and 6 (the 2α,3β,6β stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H44O5
Net Charge 0
Average Mass 448.63530
Monoisotopic Mass 448.31887
InChI InChI=1S/C27H44O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20-,21-,22-,23+,24+,25+,26-,27-/m1/s1
SMILES [H][C@]12C[C@@]3([H])[C@]4([H])C[C@@H](O)[C@@]5([H])C[C@@H](O)[C@H](O)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2
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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing agigenin (CHEBI:72849) has parent hydride (25R)-5α-spirostan (CHEBI:35539)
agigenin (CHEBI:72849) has role antineoplastic agent (CHEBI:35610)
agigenin (CHEBI:72849) has role metabolite (CHEBI:25212)
agigenin (CHEBI:72849) is a 2α-hydroxy steroid (CHEBI:36858)
agigenin (CHEBI:72849) is a 3β-hydroxy steroid (CHEBI:36836)
agigenin (CHEBI:72849) is a organic heterohexacyclic compound (CHEBI:51914)
agigenin (CHEBI:72849) is a oxaspiro compound (CHEBI:37948)
Incoming leucospiroside A (CHEBI:66574) has functional parent agigenin (CHEBI:72849)
Manual Xref Database
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Registry Numbers Types Sources
4821095 Reaxys Registry Number Reaxys
55332-76-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1028596 PubMed citation Europe PMC
22513009 PubMed citation Europe PMC
9358643 PubMed citation Europe PMC
IND21997864 Agricola citation Europe PMC
Last Modified
21 March 2013