CHEBI:70124 - (2'S)-Hydroxy-(11S,12R)-dihydrostemofoline, (rel)-

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2'S)-Hydroxy-(11S,12R)-dihydrostemofoline, (rel)-
ChEBI ID CHEBI:70124
Definition A natural product found in Stemona aphylla.
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C22H31NO6
Net Charge 0
Average Mass 405.48460
Monoisotopic Mass 405.21514
InChI InChI=1S/C22H31NO6/c1-5-12(24)9-21-14-6-7-23(21)13-8-15(21)28-22(14)16(13)10(2)18(29-22)19-17(26-4)11(3)20(25)27-19/h10,12-16,18-19,24H,5-9H2,1-4H3/t10-,12-,13-,14+,15-,16+,18-,19-,21-,22+/m0/s1
InChIKey LZIYZPJJVMGBPX-IWWHZBOVSA-N
SMILES [H][C@]12C[C@]3([H])N4CC[C@@]([H])([C@@]5(O1)O[C@@]([H])([C@@H](C)[C@]35[H])[C@@]1([H])OC(=O)C(C)=C1OC)[C@@]24C[C@@H](O)CC
Metabolite of Species Details
Stemona aphylla (NCBI:txid492013) Found in root (BTO:0001188). 95% Ethanolic extract of ground, dried 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 alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (2'S)-Hydroxy-(11S,12R)-dihydrostemofoline, (rel)- (CHEBI:70124) has role metabolite (CHEBI:25212)
(2'S)-Hydroxy-(11S,12R)-dihydrostemofoline, (rel)- (CHEBI:70124) is a alkaloid (CHEBI:22315)
Citation Type Source
21126060 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:organic heterotricyclic compound(CHEBI:26979); ISA:alkaloid(CHEBI:22315); ISA:tropane alkaloid(CHEBI:37332); ISA:furopyran(CHEBI:74927); ISA:pyrrolizines(CHEBI:38522); ISA:azepanes(CHEBI:46986); ISA:butenolide(CHEBI:50523); ISA:pyrans(CHEBI:26407); ISA:piperidines(CHEBI:26151); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:oxanes(CHEBI:46942); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:amino alcohol(CHEBI:22478); ISA:furans(CHEBI:24129); ISA:oxolanes(CHEBI:26912); ISA:enoate ester(CHEBI:51702); ISA:lactone(CHEBI:25000); ISA:tertiary amine(CHEBI:32876); ISA:secondary alcohol(CHEBI:35681); ISA:monocarboxylic acid(CHEBI:25384); ISA:acetal(CHEBI:59769); ISA:carbonyl compound(CHEBI:36586);