CHEBI:67972 - Panajaponol A, (rel)-

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ChEBI Name Panajaponol A, (rel)-
ChEBI ID CHEBI:67972
Definition A natural product found in Panax japonicus var. major.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C42H72O15
Net Charge 0
Average Mass 817.01210
Monoisotopic Mass 816.48712
InChI InChI=1S/C42H72O15/c1-20(17-43)9-8-12-42(7,53)21-10-14-40(5)28(21)22(46)15-26-39(4)13-11-27(47)38(2,3)35(39)23(16-41(26,40)6)54-37-34(32(51)30(49)25(19-45)56-37)57-36-33(52)31(50)29(48)24(18-44)55-36/h9,21-37,43-53H,8,10-19H2,1-7H3/b20-9-/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1
InChIKey AWKIKXPYYLORMJ-LFBJWFFQSA-N
SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1C[C@]2(C)[C@]([H])(C[C@@H](O)[C@]3([H])[C@]([H])(CC[C@@]23C)[C@@](C)(O)CC\C=C(\C)CO)[C@@]2(C)CC[C@H](O)C(C)(C)[C@]12[H]
Metabolite of Species Details
Panax japonicus var. major (NCBI:txid45211) Found in root (BTO:0001188). Ethanolic extract of dried and pulverized roots 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Panajaponol A, (rel)- (CHEBI:67972) has role metabolite (CHEBI:25212)
Panajaponol A, (rel)- (CHEBI:67972) is a triterpenoid saponin (CHEBI:61778)
Synonym Source
rel-(3beta,6alpha,12beta,24Z)-3,12,20,26-Tetrahydroxydammar-24-en-6-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside ChEBI
Citation Waiting for Citations Type Source
21417387 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:triterpenoid(CHEBI:36615); HP:dammarane(CHEBI:36488); ISA:3beta-hydroxy steroid(CHEBI:36836); ISA:12-hydroxy steroid(CHEBI:36845); ISA:O-acyl carbohydrate(CHEBI:52782); ISA:glycoside(CHEBI:24400); ISA:disaccharide(CHEBI:36233); ISA:aliphatic alcohol(CHEBI:2571); ISA:oxanes(CHEBI:46942); ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:acetal(CHEBI:59769); ISA:primary alcohol(CHEBI:15734);