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113981-49-0 | 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7,8-dimethoxy-2-phenyl-, (2S)-
CAS No: 113981-49-0 Catalog No: AG000A8Q MDL No:MFCD19441071
Product Description
Catalog Number:
AG000A8Q
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7,8-dimethoxy-2-phenyl-, (2S)-
CAS Number:
113981-49-0
Molecular Formula:
C17H16O5
Molecular Weight:
300.3059
MDL Number:
MFCD19441071
IUPAC Name:
(2S)-5-hydroxy-7,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C17H16O5/c1-20-14-9-12(19)15-11(18)8-13(10-6-4-3-5-7-10)22-17(15)16(14)21-2/h3-7,9,13,19H,8H2,1-2H3/t13-/m0/s1
InChI Key:
VPGMCCIECGDASG-ZDUSSCGKSA-N
SMILES:
COc1c(OC)cc(c2c1O[C@@H](CC2=O)c1ccccc1)O
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
300.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.31g/mol
Monoisotopic Mass:
300.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Identification of small molecule inhibitors of telomerase activity through transcriptional regulation of hTERT and calcium induction pathway in human lung adenocarcinoma A549 cells. | Bioorganic & medicinal chemistry 20101001 |
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