5HZ

4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol

Created:	2015-09-28
Last modified:	2016-05-04

Find Related PDB Entry
1 entries where 5HZ is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	12

2D diagram of 5HZ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol
Systematic Name (OpenEye OEToolkits)	4-[9-bicyclo[3.3.1]nonanylidene-(4-hydroxyphenyl)methyl]phenol
Formula	C₂₂ H₂₄ O₂
Molecular Weight	320.425
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1CCC\2CCCC1C/2=C(/c3ccc(O)cc3)c4ccc(cc4)O
SMILES	CACTVS	3.385	Oc1ccc(cc1)[C](c2ccc(O)cc2)=[C]3C4C[CH2]CC3CCC4
SMILES	OpenEye OEToolkits	1.9.2	c1cc(ccc1C(=C2C3CCCC2CCC3)c4ccc(cc4)O)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1)[C](c2ccc(O)cc2)=[C]3C4C[CH2]CC3CCC4
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(ccc1C(=C2C3CCCC2CCC3)c4ccc(cc4)O)O
InChI	InChI	1.03	InChI=1S/C22H24O2/c23-19-11-7-17(8-12-19)22(18-9-13-20(24)14-10-18)21-15-3-1-4-16(21)6-2-5-15/h7-16,23-24H,1-6H2/t15-,16+
InChIKey	InChI	1.03	HKDFNAQPYYZDPP-IYBDPMFKSA-N

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.