Cas no 56419-18-2 (5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxy-4H-chromen-4-one)
56419-18-2 structure
Product Name:5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxy-4H-chromen-4-one
CAS No:56419-18-2
MF:C17H14O7
MW:330.288865566254
CID:1598940
PubChem ID:5745466
Update Time:2025-04-21
5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxy-4H-chromen-4-one Chemical and Physical Properties
Names and Identifiers
-
- 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxy-4H-chromen-4-one
- 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxychromen-4-one
- 3',5,7-Trihydroxy-4',8-dimethoxyisoflavone
- 5,7,3'-Trihydroxy-8,4'-dimethoxyisoflavone
- DTXSID20204982
- SCHEMBL6338407
- 5,7-Dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxy-4H-1-benzopyran-4-one
- 56419-18-2
- LMPK12050434
- 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxy-
- BRN 1354521
- CHEBI:202445
- Isoflavone, 3',5,7-trihydroxy-4',8-dimethoxy
-
- Inchi： 1S/C17H14O7/c1-22-13-4-3-8(5-10(13)18)9-7-24-17-14(15(9)21)11(19)6-12(20)16(17)23-2/h3-7,18-20H,1-2H3
- InChI Key： GWHLXSNSYSNMEV-UHFFFAOYSA-N
- SMILES： O1C=C(C2C=CC(=C(C=2)O)OC)C(C2C(=CC(=C(C1=2)OC)O)O)=O
Computed Properties
- Exact Mass: 330.07400
- Monoisotopic Mass: 330.07395278g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 505
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 105?2
Experimental Properties
- PSA: 109.36000
- LogP: 2.59400
5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxy-4H-chromen-4-one Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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