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(Q90518180)
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English
2-Propen-1-one, 1-[2-hydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-, (2E)-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3'C-prenylchalcone
1 reference
based on heuristic
inferred from SMILES
mass
338.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₂O₄
0 references
canonical SMILES
COc1ccc(C(=O)/C=C/c2ccc(O)cc2)c(O)c1CC=C(C)C
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
COc1ccc(C(=O)/C=C/c2ccc(O)cc2)c(O)c1CC=C(C)C
1 reference
based on heuristic
inferred from InChI
catalog
CAS COVID-19 Anti-Viral Candidate Compounds
0 references
Identifiers
InChI
InChI=1S/C21H22O4/c1-14(2)4-10-18-20(25-3)13-11-17(21(18)24)19(23)12-7-15-5-8-16(22)9-6-15/h4-9,11-13,22,24H,10H2,1-3H3/b12-7+
0 references
InChIKey
XDKYBPGIBVMHHB-KPKJPENVSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
55912-03-3
0 references
ChEBI ID
185630
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H22O4/c1-14(2)4-10-18-20(25-3)13-11-17(21(18)24)19(23)12-7-15-5-8-16(22)9-6-15/h4-9,11-13,22,24H,10H2,1-3H3/b12-7+
SureChEMBL ID
SCHEMBL1024850
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XDKYBPGIBVMHHB-KPKJPENVSA-N
DSSTox substance ID
DTXSID101316382
1 reference
matched by identifier from
InChIKey
InChIKey
XDKYBPGIBVMHHB-KPKJPENVSA-N
KNApSAcK ID
C00007064
1 reference
matched by identifier from
InChIKey
InChIKey
XDKYBPGIBVMHHB-KPKJPENVSA-N
UNII
PF5YY4IV2O
1 reference
matched by identifier from
InChIKey
InChIKey
XDKYBPGIBVMHHB-KPKJPENVSA-N
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