5J0

3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol

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

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

2D diagram of 5J0

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Chemical Component Summary
Name	3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol
Systematic Name (OpenEye OEToolkits)	3-[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(/c3cccc(c3)O)c4ccc(cc4)O
SMILES	CACTVS	3.385	Oc1ccc(cc1)[C](c2cccc(O)c2)=[C]3C4C[CH2]CC3CCC4
SMILES	OpenEye OEToolkits	1.9.2	c1cc(cc(c1)O)C(=C2C3CCCC2CCC3)c4ccc(cc4)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1)[C](c2cccc(O)c2)=[C]3C4C[CH2]CC3CCC4
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(cc(c1)O)C(=C2C3CCCC2CCC3)c4ccc(cc4)O
InChI	InChI	1.03	InChI=1S/C22H24O2/c23-19-12-10-17(11-13-19)22(18-8-3-9-20(24)14-18)21-15-4-1-5-16(21)7-2-6-15/h3,8-16,23-24H,1-2,4-7H2/b22-21-/t15-,16+
InChIKey	InChI	1.03	MPHSLLGYXNIWMO-MVFCNCFGSA-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.