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(Q104961359)
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English
(3E,4R)-4-(1,3-Benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(1,3-Benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
398.136553044
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Isochaihulactone
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₂O₇
0 references
canonical SMILES
O=C1OCC(C1=CC2=CC(OC)=C(OC)C(OC)=C2)CC3=CC=C4OCOC4=C3
0 references
isomeric SMILES
COc1cc(/C=C2/C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC
0 references
found in taxon
Neoboutonia mannii
1 reference
stated in
Diterpenoids from Neoboutonia glabrescens (Euphorbiaceae).
Bupleurum scorzonerifolium
1 reference
stated in
Immunosuppressive flavones and lignans from Bupleurum scorzonerifolium
Anthriscus sylvestris
2 references
stated in
Lignans and coumarins from the roots of Anthriscus sylvestris and their increase of caspase-3 activity in HL-60 cells.
stated in
Antiproliferative constituents in umbelliferae plants. III. Constituents in the root and the ground part of Anthriscus sylvestris Hoffm
Juniperus thurifera
1 reference
stated in
Lignans from Juniperus thurifera
Identifiers
InChI
InChI=1S/C22H22O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,7-10,15H,6,11-12H2,1-3H3/b16-7+/t15-/m0/s1
0 references
InChIKey
CJLVKDPRUXBTJQ-PLWLOYALSA-N
0 references
PubChem CID
11165431
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CJLVKDPRUXBTJQ-PLWLOYALSA-N
UniChem compound ID
30532715
1 reference
stated in
UniChem
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