CHEBI:70241 - Actein

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ChEBI Name Actein
ChEBI ID CHEBI:70241
Definition A natural product found in Actaea racemosa.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C37H56O11
Net Charge 0
Average Mass 676.83390
Monoisotopic Mass 676.38226
InChI InChI=1S/C37H56O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-30,39-42H,8-16H2,1-7H3/t17-,19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29-,30+,32+,33-,34+,35-,36+,37-/m1/s1
InChIKey NEWMWGLPJQHSSQ-PSDKAYTQSA-N
SMILES [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22C[C@@H](OC(C)=O)[C@]4(C)[C@@]5([H])[C@H](C)C[C@]6(O[C@H](O)[C@@]7(C)O[C@@]67[H])O[C@@]5([H])C[C@@]4(C)[C@]2([H])CC[C@@]3([H])C1(C)C
Metabolite of Species Details
Actaea racemosa (NCBI:txid64040) Found in rhizome (BTO:0001181). Methanolic extract of dried, ground rhizomes 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Actein (CHEBI:70241) has role metabolite (CHEBI:25212)
Actein (CHEBI:70241) is a triterpenoid (CHEBI:36615)
Citation Waiting for Citations Type Source
21082802 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:triterpenoid(CHEBI:36615); ISA:steroid ester(CHEBI:47880); ISA:glycoside(CHEBI:24400); ISA:dioxanes(CHEBI:46926); ISA:oxanes(CHEBI:46942); ISA:monosaccharide(CHEBI:35381); ISA:oxolanes(CHEBI:26912); ISA:hemiacetal(CHEBI:5653); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:organonitrogen compound(CHEBI:35352); ISA:epoxide(CHEBI:32955); ISA:ether(CHEBI:25698); ISA:acetal(CHEBI:59769); ISA:carbonyl compound(CHEBI:36586);