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(Q105272455)
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English
(2E)-1-[(4aR,8aS)-5-hydroxy-7-methoxy-2,2-dimethyl-4a,8a-dihydrochromen-6-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
1-(5-hydroxy-7-methoxy-2,2-dimethyl-4a,8a-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
1 reference
based on heuristic
inferred from SMILES
mass
354.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₂O₅
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canonical SMILES
O=C(C=CC1=CC=C(O)C=C1)C=2C(OC)=CC3OC(C=CC3C2O)(C)C
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isomeric SMILES
COC1=C[C@@H]2OC(C)(C)C=C[C@H]2C(O)=C1C(=O)/C=C/c1ccc(O)cc1
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found in taxon
Humulus lupulus
1 reference
stated in
Antiproliferative and cytotoxic effects of prenylated flavonoids from hops (Humulus lupulus) in human cancer cell lines.
Identifiers
InChI
InChI=1S/C21H22O5/c1-21(2)11-10-15-17(26-21)12-18(25-3)19(20(15)24)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,15,17,22,24H,1-3H3/b9-6+/t15-,17+/m1/s1
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InChIKey
UGNIYZZWAOLMLH-QDTKCAEZSA-N
0 references
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