Cas no 78182-91-9 (3',4',8-Tri-Me ether-3',4',5,7,8-Pentahydroxyisoflavone)
78182-91-9 structure
Product Name:3',4',8-Tri-Me ether-3',4',5,7,8-Pentahydroxyisoflavone
CAS No:78182-91-9
MF:C18H16O7
MW:344.315445899963
CID:2057196
PubChem ID:44257370
Update Time:2025-04-21
3',4',8-Tri-Me ether-3',4',5,7,8-Pentahydroxyisoflavone Chemical and Physical Properties
Names and Identifiers
-
- 3',4',8-Tri-Me ether-3',4',5,7,8-Pentahydroxyisoflavone
- 5,7-dihydroxy-8,3',4'-trimethoxyisoflavone
- 78182-91-9
- LMPK12050436
- 3-(3,4-dimethoxyphenyl)-5,7-dihydroxy-8-methoxychromen-4-one
-
- Inchi： 1S/C18H16O7/c1-22-13-5-4-9(6-14(13)23-2)10-8-25-18-15(16(10)21)11(19)7-12(20)17(18)24-3/h4-8,19-20H,1-3H3
- InChI Key： ZSTDUKYETPSCHO-UHFFFAOYSA-N
- SMILES： COC1C(OC)=CC(C2C(=O)C3C(=C(C(=CC=3O)O)OC)OC=2)=CC=1
Computed Properties
- Exact Mass: 344.08960285Da
- Monoisotopic Mass: 344.08960285Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 520
- 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: 2.9
- Topological Polar Surface Area: 94.5?2
3',4',8-Tri-Me ether-3',4',5,7,8-Pentahydroxyisoflavone Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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