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

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: MRI
NameName: 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one
Synonyms: Morin

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Chemical information

Composition
Formula: C15H10O7 / Number of atoms: 32 / Formula weight: 302.236 / Formal charge: 0
Others

5auy

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MRI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5AUY
History
Create componentJun 17, 2015
Initial releaseOct 7, 2015
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / LipidMaps / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385Oc1ccc(c(O)c1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
OpenEye OEToolkits 1.9.2c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O

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SMILES CANONICAL

CACTVS 3.385Oc1ccc(c(O)c1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
OpenEye OEToolkits 1.9.2c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03YXOLAZRVSSWPPT-UHFFFAOYSA-N

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PDB entries

Showing all 5 items

PDB-5auy:
Crystal structure of DAPK1 in complex with morin.

PDB-6ae3:
Crystal structure of GSK3beta complexed with Morin

PDB-6tt8:
Haddock model of NDM-1/morin complex

PDB-7e4b:
Crystal structure of MIF bound to compound 5

PDB-8a0p:
Crystal structure of poplar glutathione transferase U20 in complex with morin

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