Cas no 71772-21-9 (2',4'-Dihydroxy-7-methoxyisoflavan)
71772-21-9 structure
Product Name:2',4'-Dihydroxy-7-methoxyisoflavan
CAS No:71772-21-9
MF:C16H16O4
MW:272.295845031738
CID:576887
PubChem ID:44257510
Update Time:2024-03-01
2',4'-Dihydroxy-7-methoxyisoflavan Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol,4-(3,4-dihydro-7-methoxy-2H-1-benzopyran-3-yl)-
- Neovestitol
- 2',4'-Dihydroxy-7-methoxyisoflavan
- LMPK12080029
- Neo-vestitol
- 71772-21-9
- 4-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol
- CHEBI:180149
-
- Inchi： 1S/C16H16O4/c1-19-13-4-2-10-6-11(9-20-16(10)8-13)14-5-3-12(17)7-15(14)18/h2-5,7-8,11,17-18H,6,9H2,1H3
- InChI Key： IAYVKGXLPAEGDI-UHFFFAOYSA-N
- SMILES： O1C2C=C(C=CC=2CC(C2C=CC(=CC=2O)O)C1)OC
Computed Properties
- Exact Mass: 272.105
- Monoisotopic Mass: 272.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 322
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 58.9
- XLogP3: 2.9
2',4'-Dihydroxy-7-methoxyisoflavan Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Isoflavonoids 7-O-methylated isoflavonoids
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids 7-O-methylated isoflavonoids
- Natural Products and Extracts Plant Extracts Plant based Endosamara racemosa
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