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Isokaerophyllin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(1,3-Benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methylidene]oxolan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
368.12598836
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3E,4S)-4-(2H-1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methylidene]oxolan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Gossypifan
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Kaerophyllin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₀O₆
0 references
canonical SMILES
O=C1OCC(C1=CC2=CC=C(OC)C(OC)=C2)CC3=CC=C4OCOC4=C3
0 references
isomeric SMILES
COc1ccc(/C=C2\C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1OC
0 references
found in taxon
Bupleurum salicifolium
3 references
stated in
Lignanolides from bupleurum salicifolium
stated in
New Lignan Butenolides from Bupleurum salicifolium
stated in
Isokaerophyllin, a butyrolactone from Bupleurum salicifolium
Bupleurum scorzonerifolium
1 reference
stated in
Immunosuppressive flavones and lignans from Bupleurum scorzonerifolium
Montrouziera sphaeroidea
1 reference
stated in
Xanthone and dihydroisocoumarin from Montrouziera sphaeroidea
Identifiers
InChI
InChI=1S/C21H20O6/c1-23-17-5-3-14(9-19(17)24-2)8-16-15(11-25-21(16)22)7-13-4-6-18-20(10-13)27-12-26-18/h3-6,8-10,15H,7,11-12H2,1-2H3/b16-8-/t15-/m0/s1
0 references
InChIKey
CSKOHFAJPKLSBP-CRNMQVKPSA-N
0 references
PubChem CID
6506046
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CSKOHFAJPKLSBP-CRNMQVKPSA-N
UniChem compound ID
27541756
1 reference
stated in
UniChem
Probes And Drugs ID
PD163093
0 references
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