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(Q105291267)
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English
crassichalcone
group of stereoisomers with the chemical formula C₂₁H₂₀O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
3'C-prenylchalcone
1 reference
inferred from
3'C-prenylchalcone
3'C-substituted chalcone
1 reference
inferred from
3'C-substituted chalcone
biogenic benzofuran
1 reference
inferred from
biogenic benzofuran
mass
336.13615911999995
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₀O₄
0 references
canonical SMILES
O=C(C=CC=1C=CC=CC1)C2=C(OC)C=C3OC(C(=C)C)CC3=C2O
0 references
isomeric SMILES
C=C(C)C1Cc2c(cc(OC)c(C(=O)/C=C/c3ccccc3)c2O)O1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H20O4/c1-13(2)17-11-15-18(25-17)12-19(24-3)20(21(15)23)16(22)10-9-14-7-5-4-6-8-14/h4-10,12,17,23H,1,11H2,2-3H3/b10-9+
0 references
InChIKey
VQIKMMPLZDAZMZ-MDZDMXLPSA-N
0 references
PubChem CID
15479308
1 reference
matched by identifier from
InChIKey
InChIKey
VQIKMMPLZDAZMZ-MDZDMXLPSA-N
ChEBI ID
180263
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H20O4/c1-13(2)17-11-15-18(25-17)12-19(24-3)20(21(15)23)16(22)10-9-14-7-5-4-6-8-14/h4-10,12,17,23H,1,11H2,2-3H3/b10-9+
LIPID MAPS ID
LMPK12120210
1 reference
InChIKey
VQIKMMPLZDAZMZ-MDZDMXLPSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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