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23370-16-3

23370-16-3 | 4H-1-Benzopyran-4-one, 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-

CAS No: 23370-16-3 Catalog No: AG002MZP MDL No:

Product Description

Catalog Number:
AG002MZP
Chemical Name:
4H-1-Benzopyran-4-one, 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-
CAS Number:
23370-16-3
Molecular Formula:
C18H16O8
Molecular Weight:
360.3148
IUPAC Name:
5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one
InChI:
InChI=1S/C18H16O8/c1-23-10-6-8(4-5-9(10)19)17-18(25-3)16(22)13-11(26-17)7-12(24-2)14(20)15(13)21/h4-7,19-21H,1-3H3
InChI Key:
QQBSPLCHDUCBNM-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)c1oc2cc(OC)c(c(c2c(=O)c1OC)O)O

Properties

Complexity:
561  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.085g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
360.318g/mol
Monoisotopic Mass:
360.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Literature

Title Journal
Chrysosplenol C increases contraction in rat ventricular myocytes. Journal of cardiovascular pharmacology 20110201
Homogentisic acid derivatives from Miliusa balansae. Journal of natural products 20040301

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