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HUL : Summary
Code
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HUL
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One-letter code
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X
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Molecule name
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5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one
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Systematic names
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Formula
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C16 H12 O6
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Formal charge
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0
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Molecular weight
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300.263 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C1c3c(O)c(OC)c(O)cc3OC(=C1)c2ccc(O)cc2 |
SMILES
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CACTVS |
3.385 |
COc1c(O)cc2OC(=CC(=O)c2c1O)c3ccc(O)cc3 |
SMILES
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OpenEye OEToolkits |
1.9.2 |
COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O |
Canonical SMILES
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CACTVS |
3.385 |
COc1c(O)cc2OC(=CC(=O)c2c1O)c3ccc(O)cc3 |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O |
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IUPAC InChI | InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3 |
IUPAC InChI key | IHFBPDAQLQOCBX-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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34 (22 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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2015-01-08
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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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