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(Q105372645)
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English
(9S)-3,9-dimethyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11,13,15-hexaene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Tabernine B
1 reference
based on heuristic
inferred from SMILES
mass
251.142247544
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(9R)-3,9-dimethyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11,13,15-hexaene
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₇N₃
0 references
canonical SMILES
N=1C(=CC=2C=3C=CC=CC3N4C2C1CCNC4C)C
0 references
isomeric SMILES
Cc1cc2c3ccccc3n3c2c(n1)CCN[C@@H]3C
0 references
found in taxon
Tabernaemontana elegans
1 reference
stated in
Tabernines A-C, beta-carbolines from the leaves of Tabernaemontana elegans.
Identifiers
InChI
InChI=1S/C16H17N3/c1-10-9-13-12-5-3-4-6-15(12)19-11(2)17-8-7-14(18-10)16(13)19/h3-6,9,11,17H,7-8H2,1-2H3/t11-/m0/s1
0 references
InChIKey
ZDRMIRKEMZHLHE-NSHDSACASA-N
0 references
PubChem CID
163033407
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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