JJP

(2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol

Created:	2018-09-11
Last modified:	2018-10-10

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2 entries where JJP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	3
Bond Count	39
Aromatic Bond Count	10

2D diagram of JJP

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Chemical Component Summary
Name	(2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₅ H₁₈ N₂ O
Molecular Weight	242.316
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c2c4c(n(C)c2ccc1)C3C(CNC(C3)C4)O
SMILES	CACTVS	3.385	Cn1c2ccccc2c3C[CH]4C[CH]([CH](O)CN4)c13
SMILES	OpenEye OEToolkits	2.0.6	Cn1c2ccccc2c3c1C4CC(C3)NCC4O
Canonical SMILES	CACTVS	3.385	Cn1c2ccccc2c3C[C@@H]4C[C@@H]([C@H](O)CN4)c13
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cn1c2ccccc2c3c1[C@H]4C[C@@H](C3)NC[C@H]4O
InChI	InChI	1.03	InChI=1S/C15H18N2O/c1-17-13-5-3-2-4-10(13)11-6-9-7-12(15(11)17)14(18)8-16-9/h2-5,9,12,14,16,18H,6-8H2,1H3/t9-,12+,14-/m1/s1
InChIKey	InChI	1.03	QCWXHFWRNWEAIH-LJWDBELGSA-N

Related Resource References

Resource Name	Reference
PubChem	134817752

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.