QPI

naphthalene-1,3-diol

Created:	2023-08-30
Last modified:	2024-03-13

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2 entries where QPI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	11

2D diagram of QPI

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Chemical Component Summary
Name	naphthalene-1,3-diol
Synonyms	1,3-Dihydroxynaphthalene
Systematic Name (OpenEye OEToolkits)	naphthalene-1,3-diol
Formula	C₁₀ H₈ O₂
Molecular Weight	160.169
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1cc(O)c2ccccc2c1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)cc(cc2O)O
Canonical SMILES	CACTVS	3.385	Oc1cc(O)c2ccccc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)cc(cc2O)O
InChI	InChI	1.06	InChI=1S/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12H
InChIKey	InChI	1.06	XOOMNEFVDUTJPP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8601
ChEMBL	CHEMBL381547
CCDC/CSD	HEGFAB, EXISUC
COD	2014340

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.