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(Q83108396)
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English
2H-1-Benzopyran-2-one, 8-((2S)-2-hydroxy-3-methyl-3-butenyl)-5,7-dimethoxy-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
8-(2-Hydroxy-3-methyl-but-3-enyl)-5,7-dimethoxy-chromen-2-one
1 reference
based on heuristic
inferred from SMILES
mass
290.115423676
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₈O₅
0 references
canonical SMILES
O=C1OC2=C(C=C1)C(OC)=CC(OC)=C2CC(O)C(=C)C
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isomeric SMILES
CC(=C)[C@H](CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O
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found in taxon
Murraya paniculata
3 references
stated in
Prenylcoumarins from Murraya paniculata var. omphalocarpa(Rutaceae): The Absolute Configuration of Sibiricin, Mexoticin and Omphamurin.
stated in
Indole alkaloids and coumarins from the root bark of Murraya paniculata var. Omphalocarpa
stated in
Bioactive coumarins from the leaves of Murraya omphalocarpa.
Murraya alata
1 reference
stated in
Anti-inflammatory coumarin and benzocoumarin derivatives from Murraya alata
Murraya gleniei
2 references
stated in
Gleinene and gleinadiene, 5,7-dimethoxycoumarins from Murraya gleinei root
stated in
Coumarins from Murraya paniculata
Murraya exotica
2 references
stated in
Indole alkaloids and coumarins from the root bark of Murraya paniculata var. Omphalocarpa
stated in
Prenylcoumarins from Murraya paniculata var. omphalocarpa(Rutaceae): The Absolute Configuration of Sibiricin, Mexoticin and Omphamurin.
Glycosmis pentaphylla
2 references
stated in
Indole alkaloids and coumarins from the root bark of Murraya paniculata var. Omphalocarpa
stated in
Prenylcoumarins from Murraya paniculata var. omphalocarpa(Rutaceae): The Absolute Configuration of Sibiricin, Mexoticin and Omphamurin.
Identifiers
InChI
InChI=1S/C16H18O5/c1-9(2)12(17)7-11-14(20-4)8-13(19-3)10-5-6-15(18)21-16(10)11/h5-6,8,12,17H,1,7H2,2-4H3/t12-/m0/s1
0 references
InChIKey
NUABNGXDPYIGQM-LBPRGKRZSA-N
0 references
CAS Registry Number
77790-53-5
0 references
PubChem CID
157112
1 reference
matched by identifier from
InChIKey
InChIKey
NUABNGXDPYIGQM-LBPRGKRZSA-N
UniChem compound ID
43108656
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40228408
1 reference
matched by identifier from
InChIKey
InChIKey
NUABNGXDPYIGQM-LBPRGKRZSA-N
DSSTOX compound identifier
DTXCID20150899
0 references
KNApSAcK ID
C00058637
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NUABNGXDPYIGQM-LBPRGKRZSA-N
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