CHEBI:71314 - cycloastragenol

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ChEBI Name cycloastragenol
ChEBI ID CHEBI:71314
Definition A sapogenin that is the aglycone derivative of astragaloside IV, a major saponin extracted from the root of Astragalus membranaceus.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C30H50O5
Net Charge 0
Average Mass 490.71500
Monoisotopic Mass 490.36582
InChI InChI=1S/C30H50O5/c1-24(2)20(33)8-11-30-16-29(30)13-12-26(5)23(28(7)10-9-21(35-28)25(3,4)34)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-7H3/t17-,18-,19-,20-,21-,22-,23-,26+,27-,28+,29-,30+/m0/s1
InChIKey WENNXORDXYGDTP-UOUCMYEWSA-N
SMILES [H][C@@]12C[C@H](O)[C@@]3([H])C(C)(C)[C@@H](O)CC[C@@]33C[C@@]13CC[C@]1(C)[C@]([H])([C@@H](O)C[C@@]21C)[C@@]1(C)CC[C@H](O1)C(C)(C)O
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.
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ChEBI Ontology
Outgoing cycloastragenol (CHEBI:71314) has parent hydride 5α-gonane (CHEBI:35525)
cycloastragenol (CHEBI:71314) has role metabolite (CHEBI:25212)
cycloastragenol (CHEBI:71314) is a oxolanes (CHEBI:26912)
cycloastragenol (CHEBI:71314) is a pentacyclic triterpenoid (CHEBI:25872)
cycloastragenol (CHEBI:71314) is a sapogenin (CHEBI:26606)
cycloastragenol (CHEBI:71314) is a tetrol (CHEBI:33573)
Incoming astragaloside I (CHEBI:91024) has functional parent cycloastragenol (CHEBI:71314)
astragaloside II (CHEBI:91026) has functional parent cycloastragenol (CHEBI:71314)
astragaloside III (CHEBI:2897) has functional parent cycloastragenol (CHEBI:71314)
astragaloside IV (CHEBI:65457) has functional parent cycloastragenol (CHEBI:71314)
IUPAC Name
(3β,6α,9β,16β,20R,24S)-20,24-epoxy-9,19-cyclolanostane-3,6,16,25-tetrol
Manual Xref Database
Cycloastragenol Wikipedia
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Registry Numbers Types Sources
4238706 Reaxys Registry Number Reaxys
84605-18-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
20809612 PubMed citation Europe PMC
20877137 PubMed citation Europe PMC
22083896 PubMed citation Europe PMC
23261488 PubMed citation Europe PMC
23357596 PubMed citation Europe PMC
Last Modified
28 January 2016