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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:3063 - Berbamine
Main
ChEBI Ontology
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ChEBI Name
Berbamine
ChEBI ID
CHEBI:3063
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C37H40N2O6
Net Charge
0
Average Mass
608.725
Monoisotopic Mass
608.28864
InChI
InChI=1S/C37H40N2O6/c1-
38-
14-
12-
24-
19-
32(41-
3)
33-
21-
27(24)
28(38)
16-
22-
6-
9-
26(10-
7-
22)
44-
31-
18-
23(8-
11-
30(31)
40)
17-
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+/m0/s1
InChIKey
DFOCUWZXJBAUSQ-URLMMPGGSA-N
SMILES
COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4
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
Berbamine (
CHEBI:3063
)
is a
bisbenzylisoquinoline alkaloid (
CHEBI:133004
)
Berbamine (
CHEBI:3063
)
is a
isoquinolines (
CHEBI:24922
)
Synonym
Source
Berbamine
KEGG COMPOUND
Manual Xrefs
Databases
C00001817
KNApSAcK
C09357
KEGG COMPOUND
View more database links
Registry Number
Type
Source
478-61-5
CAS Registry Number
KEGG COMPOUND
Last Modified
12 August 2016