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1226-22-8 | 4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-2-(4-hydroxyphenyl)-, (2R,3R)-
CAS No: 1226-22-8 Catalog No: AG0017II MDL No:MFCD22417313
Product Description
Catalog Number:
AG0017II
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-2-(4-hydroxyphenyl)-, (2R,3R)-
CAS Number:
1226-22-8
Molecular Formula:
C15H12O5
Molecular Weight:
272.2528
MDL Number:
MFCD22417313
IUPAC Name:
(2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,14-17,19H/t14-,15+/m0/s1
InChI Key:
VRTGGIJPIYOHGT-LSDHHAIUSA-N
SMILES:
Oc1ccc(cc1)[C@H]1Oc2cc(O)ccc2C(=O)[C@@H]1O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
272.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
272.256g/mol
Monoisotopic Mass:
272.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Cytotoxic constituents from Brazilian red propolis and their structure-activity relationship. | Bioorganic & medicinal chemistry 20080515 |
| Constituents of Brazilian red propolis and their preferential cytotoxic activity against human pancreatic PANC-1 cancer cell line in nutrient-deprived condition. | Bioorganic & medicinal chemistry 20080101 |
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