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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.
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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
View more database links
Registry Number
Type
Source
118-08-1
CAS Registry Number
ChemIDplus
Citation
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);