CAS 28978-02-1 | 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

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28978-02-1 | 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 No: AG002V2S MDL No:MFCD12407436

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

622.19g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

622.576g/mol

Monoisotopic Mass:

622.19g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

223A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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