General Information of the Compound
| Compound ID |
CP0012708
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| Compound Name |
5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
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| Synonyms |
,5,7-Trihydroxyisoflavone
4 inverted exclamation marka,5,7-Trihydroxyisoflavone
4',5, 7-Trihydroxyisoflavone
4',5,7-Trihydroxy isoflavone
4',5,7-Trihydroxyisoflavone
4,5,7-Trihydroxyiso-flavone
4,6,7-Trihydroxyisoflavone
5,7,4'-Trihydroxyisoflavone
5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone
5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
Bonistein
C.I. 75610
Differenol A
ENDOCRINE DISRUPTOR (GENISTEIN) (SEE ALSO GENISTEIN (446-72-0))
G 6649
G10000
GEN
GENISTEIN (ENDOCRINE DISRUPTER)
Genestein
Genistein
Genisteol
Genisterin
IN1327
Lactoferrin-genistein
NPI 031L
PTI G4660 (Genistein)
PTI-G4660
Prunetol
SIPI 807-1
SIPI-9764-I
STO514
Sophoricol
TNP00151
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| Structure |
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| Formula |
C15H10O5
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| Molecular Weight |
270.24
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| Canonical SMILES |
Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
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| InChI |
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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| InChIKey |
TZBJGXHYKVUXJN-UHFFFAOYSA-N
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| CAS |
446-72-0
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02042, Cystic fibrosis transmembrane conductance regulator
Protein ID: PT01669, Cytoplasmic tyrosine-protein kinase BMX
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT00886, Estrogen receptor
Cell-based Assay
Protein ID: PT00889, Estrogen receptor beta
Cell-based Assay
Protein ID: PT06109, Geminin
Protein ID: PT04197, Ornithine decarboxylase
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta
Protein ID: PT00879, Proto-oncogene tyrosine-protein kinase Src
Protein ID: PT01503, Signal transducer and activator of transcription 3
Protein ID: PT04657, Solute carrier family 2, facilitated glucose transporter member 1
Protein ID: PT07092, Solute carrier family 2, facilitated glucose transporter member 4
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
Protein ID: PT03657, Solute carrier organic anion transporter family member 1B3
Protein ID: PT01237, Tyrosine-protein kinase Fyn
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000083 | MCF-7 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 30000 nM
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TI
LI
LO
TS
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Clinical Information about the Compound