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JUG : Summary
Code
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JUG
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One-letter code
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X
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Molecule name
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5-hydroxynaphthalene-1,4-dione
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Synonyms
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Juglone
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Systematic names
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Formula
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C10 H6 O3
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Formal charge
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0
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Molecular weight
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174.153 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C2c1c(c(O)ccc1)C(=O)C=C2 |
SMILES
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CACTVS |
3.341 |
Oc1cccc2C(=O)C=CC(=O)c12 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc2c(c(c1)O)C(=O)C=CC2=O |
Canonical SMILES
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CACTVS |
3.341 |
Oc1cccc2C(=O)C=CC(=O)c12 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc2c(c(c1)O)C(=O)C=CC2=O |
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IUPAC InChI | InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H |
IUPAC InChI key | KQPYUDDGWXQXHS-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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19 (13 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2007-11-01
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Last modified at
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2020-06-17
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Status
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Released
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Obsoleted
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Not Assigned
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