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(Q105122805)
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3-Isokopsinine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl (9R,18R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
1 reference
based on heuristic
inferred from SMILES
Methyl aspidofractinine-21-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
338.199428072
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1S,9R,16S,18R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
methyl (1R,9R,16R,18S,21R)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
methyl (1R,9R,16R,18R,21S)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-18-carboxylate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₆N₂O₂
0 references
canonical SMILES
O=C(OC)C1CC23CCCN4CCC5(C=6C=CC=CC6NC15CC2)C43
0 references
isomeric SMILES
COC(=O)[C@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43
0 references
found in taxon
Kopsia singapurensis
4 references
stated in
Biologically active aspidofractinine, rhazinilam, akuammiline, and vincorine alkaloids from Kopsia
stated in
Biologically active aspidofractinine, rhazinilam, akuammiline, and vincorine alkaloids from Kopsia
stated in
Biologically active aspidofractinine, rhazinilam, akuammiline, and vincorine alkaloids from Kopsia
stated in
Biologically active aspidofractinine alkaloids from Kopsia singapurensis
Kopsia teoi
1 reference
stated in
Leuconoxine, kopsinitarine, kopsijasmine, and kopsinone derivatives from Kopsia
Identifiers
InChI
InChI=1S/C21H26N2O2/c1-25-17(24)15-13-19-7-4-11-23-12-10-20(18(19)23)14-5-2-3-6-16(14)22-21(15,20)9-8-19/h2-3,5-6,15,18,22H,4,7-13H2,1H3/t15-,18+,19-,20-,21-/m1/s1
0 references
InChIKey
IYLRRIUNGGQRTN-DDVIMMDMSA-N
0 references
PubChem CID
7069832
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IYLRRIUNGGQRTN-DDVIMMDMSA-N
UniChem compound ID
295820
1 reference
stated in
UniChem
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