MRI

2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one

Created:	2015-06-17
Last modified:	2021-03-01

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

2D diagram of MRI

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Chemical Component Summary
Name	2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one
Synonyms	Morin
Systematic Name (OpenEye OEToolkits)	2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one
Formula	C₁₅ H₁₀ O₇
Molecular Weight	302.236
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1ccc(c(O)c1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(c(O)c1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
InChI	InChI	1.03	InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
InChIKey	InChI	1.03	YXOLAZRVSSWPPT-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB16770
Name	Morin
Groups	experimental
Synonyms	2',3,4',5,7-Pentahydroxyflavone Morin 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4h-1-benzopyran-4-one Aurantica C.I. Natural yellow 8 Al-Morin Calico Yellow
Categories	Antioxidants Benzopyrans Biological Factors Chromones Compounds used in a research, industrial, or household setting Flavonoids Heterocyclic Compounds, Fused-Ring Indicators and Reagents Laboratory Chemicals Protective Agents Pyrans
CAS number	480-16-0

Related Resource References

Resource Name	Reference
PubChem	5281670
ChEMBL	CHEMBL28626
ChEBI	CHEBI:75092
CCDC/CSD	PILCES

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.