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Allocryptopine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical formula
C₂₁H₂₃NO₅
0 references
canonical SMILES
COc1ccc2c(c1OC)CN(C)CCc1cc3c(cc1C(=O)C2)OCO3
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3
0 references
InChIKey
HYBRYAPKQCZIAE-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
24240-04-8
0 references
PubChem CID
98570
1 reference
matched by identifier from
InChIKey
InChIKey
HYBRYAPKQCZIAE-UHFFFAOYSA-N
ChEBI ID
17390
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3
SureChEMBL ID
SCHEMBL673252
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HYBRYAPKQCZIAE-UHFFFAOYSA-N
DSSTox substance ID
DTXSID60871677
1 reference
matched by identifier from
InChIKey
InChIKey
HYBRYAPKQCZIAE-UHFFFAOYSA-N
NSC number
148824
0 references
Human Metabolome Database ID
HMDB0302683
1 reference
matched by identifier from
InChIKey
InChIKey
HYBRYAPKQCZIAE-UHFFFAOYSA-N
KNApSAcK ID
C00001799
1 reference
matched by identifier from
InChIKey
InChIKey
HYBRYAPKQCZIAE-UHFFFAOYSA-N
UNII
EK27J8ROYB
1 reference
matched by identifier from
InChIKey
InChIKey
HYBRYAPKQCZIAE-UHFFFAOYSA-N
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