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ChEBI
> Main
CHEBI:7853 - oxyacanthine
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ChEBI Ontology
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ChEBI Name
oxyacanthine
ChEBI ID
CHEBI:7853
Definition
A macrocycle that is oxyacanthan that is substituted by methoxy groups at positions 6, 6', and 7, methyl groups at positions 2 and 2', and a hydroxy group at the 12' position.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C37H40N2O6
Net Charge
0
Average Mass
608.72338
Monoisotopic Mass
608.28864
InChI
InChI=1S/C37H40N2O6/c1-
38-
14-
12-
24-
19-
32(41-
3)
33-
21-
27(24)
28(38)
17-
23-
8-
11-
30(40)
31(18-
23)
44-
26-
9-
6-
22(7-
10-
26)
16-
29-
35-
25(13-
15-
39(29)
2)
20-
34(42-
4)
36(43-
5)
37(35)
45-
33/h6-
11,18-
21,28-
29,40H,12-
17H2,1-
5H3/t28-
,29+/m1/s1
InChIKey
HGNHIFJNOKGSKI-WDYNHAJCSA-N
SMILES
[H][C@@]12Cc3ccc(O)c(Oc4ccc(C[C@]5([H])N(C)CCc6cc(OC)c(OC)c(Oc7cc1c(CCN2C)cc7OC)c56)cc4)c3
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
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
oxyacanthine (
CHEBI:7853
)
has parent hydride
oxyacanthan (
CHEBI:36323
)
oxyacanthine (
CHEBI:7853
)
is a
bisbenzylisoquinoline alkaloid (
CHEBI:133004
)
oxyacanthine (
CHEBI:7853
)
is a
isoquinolines (
CHEBI:24922
)
oxyacanthine (
CHEBI:7853
)
is a
macrocycle (
CHEBI:51026
)
oxyacanthine (
CHEBI:7853
)
is a
phenols (
CHEBI:33853
)
oxyacanthine (
CHEBI:7853
)
is a
tertiary amino compound (
CHEBI:50996
)
IUPAC Name
6,6',7-trimethoxy-2,2'-dimethyloxyacanthan-12'-ol
Synonyms
Sources
Oxyacanthine
KEGG COMPOUND
oxycanthine
ChemIDplus
vinetine
ChEBI
Manual Xrefs
Databases
C00001897
KNApSAcK
C09598
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
548-40-3
CAS Registry Number
ChemIDplus
78855
Reaxys Registry Number
Reaxys
78855
Beilstein Registry Number
Beilstein
Last Modified
12 August 2016