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(Q105162939)
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Isopanduratin A1
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(2,4-Dihydroxy-6-methoxyphenyl)-[4-methyl-5-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
1 reference
based on heuristic
inferred from SMILES
mass
406.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₃₀O₄
0 references
canonical SMILES
O=C(C=1C(O)=CC(O)=CC1OC)C2CC=C(C)C(CC=C(C)C)C2C=3C=CC=CC3
0 references
isomeric SMILES
COc1cc(O)cc(O)c1C(=O)[C@@H]1CC=C(C)[C@@H](CC=C(C)C)[C@H]1c1ccccc1
0 references
found in taxon
Boesenbergia rotunda
1 reference
stated in
Bioactive secondary metabolites from Boesenbergia pandurata of Myanmar and their preferential cytotoxicity against human pancreatic cancer PANC-1 cell line in nutrient-deprived medium.
Identifiers
InChI
InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(24(20)18-8-6-5-7-9-18)26(29)25-22(28)14-19(27)15-23(25)30-4/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21-,24-/m1/s1
0 references
InChIKey
MFPMXYUSFDUYRN-PQNGQFLHSA-N
0 references
PubChem CID
44444913
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
495943
1 reference
stated in
UniChem
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