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- ChemComp-KKN: 3-methyl-2H-furo[2,3-c]pyran-2-one -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: KKN
NameName: 3-methyl-2H-furo[2,3-c]pyran-2-one / Synonyms: Karrikin KAR1

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Chemical information

Composition
Formula: C8H6O3 / Number of atoms: 17 / Formula weight: 150.131 / Formal charge: 0
Others

4jym

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KKN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4JYM
History
Create componentApr 8, 2013
Initial releaseMay 8, 2013
Other modificationDec 12, 2019
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / ChemicalBook / CompTox / 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

ACDLabs 12.01O=C2OC1=COC=CC1=C2C
CACTVS 3.370CC1=C2C=COC=C2OC1=O
OpenEye OEToolkits 1.7.6CC1=C2C=COC=C2OC1=O

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SMILES CANONICAL

CACTVS 3.370CC1=C2C=COC=C2OC1=O
OpenEye OEToolkits 1.7.6CC1=C2C=COC=C2OC1=O

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InChI

InChI 1.03InChI=1S/C8H6O3/c1-5-6-2-3-10-4-7(6)11-8(5)9/h2-4H,1H3

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InChIKey

InChI 1.03JUTMAMXOAOYKHT-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.013-methyl-2H-furo[2,3-c]pyran-2-one
OpenEye OEToolkits 1.7.63-methylfuro[2,3-c]pyran-2-one

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PDB entries

Showing all 2 items

PDB-4jym:
crystal Structure of KAI2 in complex with 3-methyl-2H-furo[2,3-c]pyran-2-one

PDB-5dnu:
Crystal structure of Striga KAI2-like protein in complex with karrikin

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