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19879-32-4 | 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-, (2S)-
CAS No: 19879-32-4 Catalog No: AG002BQT MDL No:MFCD11617359
Product Description
Catalog Number:
AG002BQT
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-, (2S)-
CAS Number:
19879-32-4
Molecular Formula:
C20H20O4
Molecular Weight:
324.3704
MDL Number:
MFCD11617359
IUPAC Name:
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C20H20O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-10,19,21-22H,4,11H2,1-2H3/t19-/m0/s1
InChI Key:
OAUREGNZECGNQS-IBGZPJMESA-N
SMILES:
CC(=CCc1cc2C(=O)C[C@H](Oc2cc1O)c1ccc(cc1)O)C
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
324.136g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.376g/mol
Monoisotopic Mass:
324.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Separation of isomeric bavachin and isobavachalcone in the fructus Psoraleae by capillary electrophoresis-mass spectrometry. | Journal of separation science 20120701 |
| Phenolic compounds isolated from Psoralea corylifolia inhibit IL-6-induced STAT3 activation. | Planta medica 20120601 |
| Determination of bavachin and isobavachalcone in Fructus Psoraleae by high-performance liquid chromatography with electrochemical detection. | Journal of separation science 20110301 |
| Phytoestrogen bavachin mediates anti-inflammation targeting Ikappa B kinase-I kappaB alpha-NF-kappaB signaling pathway in chondrocytes in vitro. | European journal of pharmacology 20100625 |
| Inhibitory effects of bakuchiol, bavachin, and isobavachalcone isolated from Piper longum on melanin production in B16 mouse melanoma cells. | Bioscience, biotechnology, and biochemistry 20100101 |
| Melanin synthesis inhibitors from Lespedeza floribunda. | Journal of natural products 20090227 |
| Bavachin and isobavachalcone, acyl-coenzyme A: cholesterol acyltransferase inhibitors from Psoralea corylifolia. | Archives of pharmacal research 20081101 |
| Antioxidative components of Psoralea corylifolia (Leguminosae). | Phytotherapy research : PTR 20020901 |
| [HPLC determination of two flavonoid compounds in Psoralea corylifolia]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20020901 |
| Osteoblastic proliferation stimulating activity of Psoralea corylifolia extracts and two of its flavonoids. | Planta medica 20011101 |
| Aromatase inhibitors from Broussonetia papyrifera. | Journal of natural products 20011001 |
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