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(Q105312436)
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Grandisine A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4,8-Dimethyl-3,9-dioxa-13-azatetracyclo[8.7.0.02,7.013,17]heptadec-2(7)-en-6-one
1 reference
based on heuristic
inferred from SMILES
mass
277.167793596
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,4S,8S,10R,17R)-4,8-dimethyl-3,9-dioxa-13-azatetracyclo[8.7.0.02,7.013,17]heptadec-2(7)-en-6-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₃NO₃
0 references
canonical SMILES
O=C1C2=C(OC(C)C1)C3C(OC2C)CCN4CCCC43
0 references
isomeric SMILES
C[C@@H]1CC(=O)C2=C(O1)[C@H]1[C@H](CCN3CCC[C@@H]13)O[C@@H]2C
0 references
found in taxon
Elaeocarpus grandis
2 references
stated in
Grandisines C-G, indolizidine alkaloids from the Australian rainforest tree Elaeocarpus grandis
stated in
Grandisine A and B, novel indolizidine alkaloids with human delta-opioid receptor binding affinity from the leaves of the Australian rainforest tree Elaeocarpus grandis.
Elaeocarpus angustifolius
2 references
stated in
Grandisines C-G, indolizidine alkaloids from the Australian rainforest tree Elaeocarpus grandis
stated in
Grandisine A and B, novel indolizidine alkaloids with human delta-opioid receptor binding affinity from the leaves of the Australian rainforest tree Elaeocarpus grandis.
Identifiers
InChI
InChI=1S/C16H23NO3/c1-9-8-12(18)14-10(2)20-13-5-7-17-6-3-4-11(17)15(13)16(14)19-9/h9-11,13,15H,3-8H2,1-2H3/t9-,10-,11+,13+,15-/m1/s1
0 references
InChIKey
WTEJUVPHIIJNDX-RXHHHXIQSA-N
0 references
PubChem CID
11482807
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WTEJUVPHIIJNDX-RXHHHXIQSA-N
UniChem compound ID
33001165
1 reference
stated in
UniChem
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