CWE

R-naringenin

Created:	2017-12-11
Last modified:	2018-06-06

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4 entries where CWE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	34
Aromatic Bond Count	12

2D diagram of CWE

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Chemical Component Summary
Name	R-naringenin
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
Formula	C₁₅ H₁₂ O₅
Molecular Weight	272.253
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1ccc(cc1)[CH]2CC(=O)c3c(O)cc(O)cc3O2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)O)O)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1)[C@H]2CC(=O)c3c(O)cc(O)cc3O2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1[C@H]2CC(=O)c3c(cc(cc3O2)O)O)O
InChI	InChI	1.03	InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1
InChIKey	InChI	1.03	FTVWIRXFELQLPI-CYBMUJFWSA-N

Related Resource References

Resource Name	Reference
PubChem	667495
ChEBI	CHEBI:50201
CCDC/CSD	AYUJAH, JILSAB, AYUJOV, DOLRIF, JILSIJ, JILSEF, TOJSOD, UJIHON, OQEDOG, FERLUN
COD	2201847

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.