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(Q105247035)
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Alangine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(1-hydroxybut-3-en-2-yl)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-10-ol
1 reference
based on heuristic
inferred from SMILES
mass
303.18344366
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2S,11bS)-2-[(2S)-1-hydroxybut-3-en-2-yl]-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-10-ol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₅NO₃
0 references
canonical SMILES
OC=1C=C2C(=CC1OC)CCN3CCC(CC23)C(C=C)CO
0 references
isomeric SMILES
C=C[C@@H](CO)[C@H]1CCN2CCc3cc(OC)c(O)cc3[C@@H]2C1
0 references
found in taxon
Alangium lamarckii
2 references
stated in
Newer alkaloids from Alangium lamarckii thw
stated in
Two Alangium alkaloids from Alangium lamarckii
Alangium salviifolium
2 references
stated in
Two Alangium alkaloids from Alangium lamarckii
stated in
Newer alkaloids from Alangium lamarckii thw
Identifiers
InChI
InChI=1S/C18H25NO3/c1-3-12(11-20)13-4-6-19-7-5-14-9-18(22-2)17(21)10-15(14)16(19)8-13/h3,9-10,12-13,16,20-21H,1,4-8,11H2,2H3/t12-,13-,16-/m0/s1
0 references
InChIKey
RXHZLYKOFROSQK-XEZPLFJOSA-N
0 references
PubChem CID
10851977
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RXHZLYKOFROSQK-XEZPLFJOSA-N
UniChem compound ID
32471561
1 reference
stated in
UniChem
NMRShiftDB structure ID
20109348
1 reference
matched by identifier from
InChIKey
InChIKey
RXHZLYKOFROSQK-XEZPLFJOSA-N
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