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(Q105241897)
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English
Pyrinodemin A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pyridine alkaloids
0 references
3-alkylpiperidine alkaloid
0 references
mass
573.465813508
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₈H₅₉N₃O
0 references
canonical SMILES
N=1C=CC=C(C1)CCCCCCCC=CCCCCCN2OC(CCCCCCCCC=3C=NC=CC3)C4CCCC24
0 references
isomeric SMILES
C(=C\CCCCCN1O[C@@H](CCCCCCCCc2cccnc2)[C@H]2CCC[C@H]21)\CCCCCCCc1cccnc1
0 references
found in taxon
Amphimedon
2 references
stated in
Pyrinodemin A, a cytotoxic pyridine alkaloid with an isoxazolidine moiety from sponge Amphimedon sp
stated in
Pyrinodemins B-D, potent cytotoxic bis-pyridine alkaloids from marine sponge amphimedon sp
Identifiers
InChI
InChI=1S/C38H59N3O/c1(3-5-7-11-15-22-34-24-20-29-39-32-34)2-4-6-10-14-18-31-41-37-27-19-26-36(37)38(42-41)28-17-13-9-8-12-16-23-35-25-21-30-40-33-35/h2,4,20-21,24-25,29-30,32-33,36-38H,1,3,5-19,22-23,26-28,31H2/b4-2-/t36-,37+,38-/m0/s1
0 references
InChIKey
RNXHTUOLBPFOMG-YODGPZKVSA-N
0 references
PubChem CID
11731488
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RNXHTUOLBPFOMG-YODGPZKVSA-N
UniChem compound ID
32528617
1 reference
stated in
UniChem
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