CHEBI:66095 - 20-epi-isoiguesterinol

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ChEBI Name 20-epi-isoiguesterinol
ChEBI ID CHEBI:66095
ChEBI ASCII Name 20-epi-isoiguesterinol
Definition A pentacyclic triterpenoid that is a bisnortriterpene isolated from Salacia madagascariensis and exhibits antileishmanial and antileukemic activities.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H38O3
Net Charge 0
Average Mass 422.59950
Monoisotopic Mass 422.28210
InChI InChI=1S/C28H38O3/c1-17-19-6-7-22-26(3,20(19)15-21(30)24(17)31)11-13-28(5)23-14-18(16-29)8-9-25(23,2)10-12-27(22,28)4/h6-7,15,18,23,29,31H,8-14,16H2,1-5H3/t18-,23+,25+,26-,27+,28-/m0/s1
InChIKey RRKSDDREVOXSJD-TXARQUJHSA-N
SMILES [H][C@@]12C[C@@H](CO)CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C
Metabolite of Species Details
Salacia madagascariensis (NCBI:txid670374) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): antileishmanial agent
An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antileishmanial agent
An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 20-epi-isoiguesterinol (CHEBI:66095) has role antileishmanial agent (CHEBI:70868)
20-epi-isoiguesterinol (CHEBI:66095) has role metabolite (CHEBI:25212)
20-epi-isoiguesterinol (CHEBI:66095) is a enol (CHEBI:33823)
20-epi-isoiguesterinol (CHEBI:66095) is a enone (CHEBI:51689)
20-epi-isoiguesterinol (CHEBI:66095) is a pentacyclic triterpenoid (CHEBI:25872)
20-epi-isoiguesterinol (CHEBI:66095) is a primary alcohol (CHEBI:15734)
20-epi-isoiguesterinol (CHEBI:66095) is a quinomethanes (CHEBI:52404)
IUPAC Name
(6bS,8aR,11S,12aR,12bS,14aR)-3-hydroxy-11-(hydroxymethyl)-4,6b,8a,12b,14a-pentamethyl-7,8,8a,9,10,11,12,12a,12b,13,14,14a-dodecahydropicen-2(6bH)-one
Registry Number Type Source
15768954 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15730255 PubMed citation Europe PMC
Last Modified
04 March 2013