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Home Other Building Blocks 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-

4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-

CAS No.:
28978-02-1
Catalog Number:
AG002V2S
Molecular Formula:
C29H34O15
Molecular Weight:
622.5713
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Product Description
Catalog Number:
AG002V2S
Chemical Name:
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-
CAS Number:
28978-02-1
Molecular Formula:
C29H34O15
Molecular Weight:
622.5713
MDL Number:
MFCD12407436
IUPAC Name:
5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
InChI:
InChI=1S/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)43-17-9-16-19(22(33)27(17)39-3)14(30)8-15(42-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3/t11-,18+,20-,21+,23+,24-,25+,26+,28+,29+/m0/s1
InChI Key:
DUXQKCCELUKXOE-CBBZIXHGSA-N
SMILES:
COc1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)OC
UNII:
BY44L9O1RR
Properties
Complexity:
1000  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
622.19g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
622.576g/mol
Monoisotopic Mass:
622.19g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
223A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
Cirsium japonicum flavones enhance adipocyte differentiation and glucose uptake in 3T3-L1 cells. Biological & pharmaceutical bulletin 20120101
Antidiabetic effect of flavones from Cirsium japonicum DC in diabetic rats. Archives of pharmacal research 20100301
[Study on chemical constituents of Herba Cirsii]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20090101
Anti-inflammatory activity of pectolinarigenin and pectolinarin isolated from Cirsium chanroenicum. Biological & pharmaceutical bulletin 20081101
In vitro biological evaluation of novel 7-O-dialkylaminoalkyl cytotoxic pectolinarigenin derivatives against a panel of human cancer cell lines. Bioorganic & medicinal chemistry letters 20081015
Pectolinarin and Pectolinarigenin of Cirsium setidens Prevent the Hepatic Injury in Rats Caused by D-Galactosamine via an Antioxidant Mechanism. Biological & pharmaceutical bulletin 20080401
Potential antitumor agents: flavones and their derivatives from Linaria reflexa Desf. Bioorganic & medicinal chemistry letters 20051101
Differentiation of Cirsium japonicum and C. setosum by TLC and HPLC-MS. Phytochemical analysis : PCA 20050101
Properties