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20243-59-8 | 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-
CAS No: 20243-59-8 Catalog No: AG002883 MDL No:MFCD11046350
Product Description
Catalog Number:
AG002883
Chemical Name:
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-
CAS Number:
20243-59-8
Molecular Formula:
C16H12O6
Molecular Weight:
300.2629
MDL Number:
MFCD11046350
IUPAC Name:
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
InChI:
InChI=1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-7,17-19H,1H3
InChI Key:
RRRSSAVLTCVNIQ-UHFFFAOYSA-N
SMILES:
COc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O
UNII:
732GA1Z079
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.063g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
300.266g/mol
Monoisotopic Mass:
300.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
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| Flavonoid glycosides and their p-coumaroyl esters from Campylospermum calanthum leaves. | Zeitschrift fur Naturforschung. C, Journal of biosciences 20120101 |
| [Studies on the chemical constituents from Lobelia chinensis]. | Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20101101 |
| The effects of twelve representative flavonoids on tissue factor expression in human monocytes: structure-activity relationships. | Thrombosis research 20091201 |
| [Studies on the chemical constituents from Daphne tangutica]. | Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20091201 |
| [Studies on chemical constituents of Daphne genkwa]. | Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20090401 |
| Acasiane A and B and farnesirane A and B, diterpene derivatives from the roots of Acacia farnesiana. | Planta medica 20090201 |
| Iridoid glucosides and flavones from the aerial parts of Avicennia marina. | Chemistry & biodiversity 20060701 |
| HIV-1 integrase inhibitory substances from Coleus parvifolius. | Phytotherapy research : PTR 20030301 |
| Antioxidant activity of chemical components from sage (Salvia officinalis L.) and thyme (Thymus vulgaris L.) measured by the oil stability index method. | Journal of agricultural and food chemistry 20020327 |
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