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Yorodumi- ChemComp-CC2: 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: CC2 |
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Name | Name: |
-Chemical information
Composition | Formula: C22H18O3 / Number of atoms: 43 / Formula weight: 330.377 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CC2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3JSX | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEMBL / PubChem / PubChem_TPharma / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 11.02 | CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 11.02 | OpenEye OEToolkits 1.6.1 | |
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-PDB entries
Showing all 1 items
PDB-3jsx:
X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1