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(Q105140602)
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Valparicine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(11R,12E,17S)-12-ethylidene-10-methylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,8-tetraene
1 reference
based on heuristic
inferred from SMILES
mass
276.16264864
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,11S,17S)-12-ethylidene-10-methylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,8-tetraene
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,11R,12E,17S)-12-ethylidene-10-methylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,8-tetraene
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₀N₂
0 references
canonical SMILES
N=1C=2C=CC=CC2C34C1C(=C)C5C(=CC)CN(CC3)C4C5
0 references
isomeric SMILES
C=C1C2=Nc3ccccc3[C@@]23CCN2C/C(=C/C)[C@@H]1C[C@H]23
0 references
found in taxon
Kopsia arborea
3 references
stated in
Biologically active indole alkaloids from Kopsia arborea
stated in
Biologically active indole alkaloids from Kopsia arborea
stated in
Biomimetic oxidative transformations of pericine: partial synthesis of apparicine and valparicine, a new pentacyclic indole alkaloid from Kopsia
Identifiers
InChI
InChI=1S/C19H20N2/c1-3-13-11-21-9-8-19-15-6-4-5-7-16(15)20-18(19)12(2)14(13)10-17(19)21/h3-7,14,17H,2,8-11H2,1H3/b13-3-/t14-,17+,19-/m1/s1
0 references
InChIKey
KFXIUXCXSKTCNK-ZKHUDAJZSA-N
0 references
PubChem CID
23625449
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KFXIUXCXSKTCNK-ZKHUDAJZSA-N
UniChem compound ID
385750
1 reference
stated in
UniChem
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