CHEBI:70242 - 26-Deoxyactein

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 26-Deoxyactein
ChEBI ID CHEBI:70242
Definition A natural product found in Actaea racemosa.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C37H56O10
Net Charge 0
Average Mass 660.83450
Monoisotopic Mass 660.38735
InChI InChI=1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30-,32+,33-,34-,35-,36+,37+/m1/s1
InChIKey GCMGJWLOGKSUGX-RBKCHLQLSA-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(OC[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 26-Deoxyactein (CHEBI:70242) has role metabolite (CHEBI:25212)
26-Deoxyactein (CHEBI:70242) 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:oxanes(CHEBI:46942); ISA:dioxanes(CHEBI:46926); ISA:monosaccharide(CHEBI:35381); ISA:oxolanes(CHEBI:26912); ISA:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:epoxide(CHEBI:32955); ISA:ether(CHEBI:25698); ISA:acetal(CHEBI:59769); ISA:carbonyl compound(CHEBI:36586);