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(Q105171362)
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English
3-{4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl}-1-{9H-pyrido[3,4-b]indol-1-yl}propan-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
beta-carboline alkaloid
0 references
mass
450.169190564
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₂₂N₄O₃
0 references
canonical SMILES
O=C(C1=NC=CC=2C=3C=CC=CC3NC12)CCC4=NC=C(OC)C=5C=6C=CC=C(OC)C6NC45
0 references
found in taxon
Picrasma quassioides
2 references
stated in
Tobacco mosaic virus (TMV) inhibitors from Picrasma quassioides Benn
stated in
Studies on the constituents of Picrasma quassioides Bennet. I. On the alkaloidal constituents.
Identifiers
InChI
InChI=1S/C27H22N4O3/c1-33-21-9-5-7-17-23-22(34-2)14-29-19(26(23)31-24(17)21)10-11-20(32)27-25-16(12-13-28-27)15-6-3-4-8-18(15)30-25/h3-9,12-14,30-31H,10-11H2,1-2H3
0 references
InChIKey
MSRXRROCBIUJCG-UHFFFAOYSA-N
0 references
PubChem CID
5315686
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
34507125
1 reference
stated in
UniChem
NMRShiftDB structure ID
20173280
1 reference
matched by identifier from
InChIKey
InChIKey
MSRXRROCBIUJCG-UHFFFAOYSA-N
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