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Isostrychnine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
14-(2-Hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one
1 reference
based on heuristic
inferred from SMILES
mass
334.168127944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₂N₂O₂
0 references
canonical SMILES
O=C1N2C=3C=CC=CC3C45CCN6CC(=CCO)C(C(=CC1)C24)CC65
0 references
isomeric SMILES
O=C1CC=C2C3CC4N(CCC45c4ccccc4N1C25)C/C3=C\CO
1 reference
based on heuristic
inferred from InChI
found in taxon
Strychnos
1 reference
stated in
The cytotoxicity induced by brucine from the seed of Strychnos nux-vomica proceeds via apoptosis and is mediated by cyclooxygenase 2 and caspase 3 in SMMC 7221 cells
Identifiers
InChI
InChI=1S/C21H22N2O2/c24-10-7-13-12-22-9-8-21-16-3-1-2-4-17(16)23-19(25)6-5-14(20(21)23)15(13)11-18(21)22/h1-5,7,15,18,20,24H,6,8-12H2/b13-7+
0 references
InChIKey
PNYOGGAOQVIZDM-NTUHNPAUSA-N
0 references
CAS Registry Number
467-16-3
0 references
PubChem CID
5318675
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
27210161
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30415744
0 references
DSSTOX compound identifier
DTXCID60366593
0 references
NSC number
99791
0 references
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