CC2

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

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

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count46
Aromatic Bond Count17
2D diagram of CC2

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name4-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
FormulaC22 H18 O3
Molecular Weight330.377
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=C2Oc1cc(c(cc1C(O)=C2Cc4c3ccccc3ccc4)C)C
SMILESCACTVS3.352Cc1cc2OC(=O)C(=C(O)c2cc1C)Cc3cccc4ccccc34
SMILESOpenEye OEToolkits1.7.0Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4
Canonical SMILESCACTVS3.352 Cc1cc2OC(=O)C(=C(O)c2cc1C)Cc3cccc4ccccc34
Canonical SMILESOpenEye OEToolkits1.7.0 Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4
InChIInChI1.03 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
InChIKeyInChI1.03 CLIXIKBUGAHFJT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL569169
PubChem 54736423
ChEMBL CHEMBL569169