CC2

4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one

Created:	2009-09-16
Last modified:	2011-06-04

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1 entries where CC2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	17

2D diagram of CC2

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Chemical Component Summary
Name	4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one
Systematic Name (OpenEye OEToolkits)	4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)chromen-2-one
Formula	C₂₂ H₁₈ O₃
Molecular Weight	330.377
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=C2Oc1cc(c(cc1C(O)=C2Cc4c3ccccc3ccc4)C)C
SMILES	CACTVS	3.352	Cc1cc2OC(=O)C(=C(O)c2cc1C)Cc3cccc4ccccc34
SMILES	OpenEye OEToolkits	1.7.0	Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4
Canonical SMILES	CACTVS	3.352	Cc1cc2OC(=O)C(=C(O)c2cc1C)Cc3cccc4ccccc34
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4
InChI	InChI	1.03	InChI=1S/C22H18O3/c1-13-10-18-20(11-14(13)2)25-22(24)19(21(18)23)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-11,23H,12H2,1-2H3
InChIKey	InChI	1.03	CLIXIKBUGAHFJT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL569169
PubChem	54736423
ChEMBL	CHEMBL569169

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.