CHEBI:69919 - Hydrastine

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ChEBI Name Hydrastine
ChEBI ID CHEBI:69919
Definition A natural product found in Hydrastis canadensis.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H21NO6
Net Charge 0
Average Mass 383.39450
Monoisotopic Mass 383.13689
InChI InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m1/s1
InChIKey JZUTXVTYJDCMDU-MOPGFXCFSA-N
SMILES [H][C@@]1(OC(=O)c2c(OC)c(OC)ccc12)[C@]1([H])N(C)CCc2cc3OCOc3cc12
Metabolite of Species Details
Hydrastis canadensis (NCBI:txid13569) Found in leaf (BTO:0000713). EtOH:H2O(50:50) extract of leaves 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 Hydrastine (CHEBI:69919) has role metabolite (CHEBI:25212)
Hydrastine (CHEBI:69919) is a isoquinolines (CHEBI:24922)
Synonym Source
(3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one ChEBI
Manual Xref Database
LSM-2035 LINCS
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Registry Number Type Source
118-08-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21661731 PubMed citation Europe PMC
Last Modified
24 February 2016
General Comment
2014-10-17 Suggested Classification: ISA:isoquinolines(CHEBI:24922); ISA:2-benzofurans(CHEBI:38831); ISA:benzodioxoles(CHEBI:38298); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:aralkylamine(CHEBI:18000); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:carboxylic ester(CHEBI:33308); ISA:tertiary amine(CHEBI:32876); ISA:lactone(CHEBI:25000); ISA:acetal(CHEBI:59769); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);