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- ChemComp-KMC: galangin -

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Basic information

EntryDatabase: PDB chemical components / ID: KMC
NameName: galangin / Synonyms: 3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one

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Chemical information

Composition
Formula: C15H10O5 / Number of atoms: 30 / Formula weight: 270.237 / Formal charge: 0
Others

8a0o

Type: non-polymer / PDB classification: HETAIN / Three letter code: KMC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8A0O
History
Create componentMay 31, 2022
Initial releaseJul 20, 2022
Modify descriptorAug 22, 2022
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / 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 3.385Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3)O
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O

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SMILES CANONICAL

CACTVS 3.385Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3)O
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O

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InChI

InChI 1.06InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H

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InChIKey

InChI 1.06VCCRNZQBSJXYJD-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8a0o:
Crystal structure of poplar glutathione transferase U20 in complex with galangin

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