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124858-37-3 | 2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 7,8-dihydro-8-(4-hydroxyphenyl)-2,2-dimethyl-, (8S)-
CAS No: 124858-37-3 Catalog No: AG000MTY MDL No:
Product Description
Catalog Number:
AG000MTY
Chemical Name:
2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 7,8-dihydro-8-(4-hydroxyphenyl)-2,2-dimethyl-, (8S)-
CAS Number:
124858-37-3
Molecular Formula:
C20H18O4
Molecular Weight:
322.3545
IUPAC Name:
8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
InChI:
InChI=1S/C20H18O4/c1-20(2)8-7-13-9-15-16(22)10-17(12-3-5-14(21)6-4-12)23-19(15)11-18(13)24-20/h3-9,11,17,21H,10H2,1-2H3
InChI Key:
AZNAWXMYPBINIJ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc1c(c2)C=CC(O1)(C)C
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.121g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.36g/mol
Monoisotopic Mass:
322.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Prenylflavones from Psoralea corylifolia inhibit nitric oxide synthase expression through the inhibition of I-kappaB-alpha degradation in activated microglial cells. | Biological & pharmaceutical bulletin 20051201 |
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