NHG

BIS-NORESEROLINE

Created:	2011-07-24
Last modified:	2014-05-08

Find Related PDB Entry
1 entries where NHG 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	28
Chiral Atom Count	2
Bond Count	30
Aromatic Bond Count	6

2D diagram of NHG

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	BIS-NORESEROLINE
Systematic Name (OpenEye OEToolkits)	(3aR,8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-ol
Formula	C₁₁ H₁₄ N₂ O
Molecular Weight	190.242
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1cc2c(cc1)NC3NCCC23C
SMILES	CACTVS	3.370	C[C]12CCN[CH]1Nc3ccc(O)cc23
SMILES	OpenEye OEToolkits	1.7.2	CC12CCNC1Nc3c2cc(cc3)O
Canonical SMILES	CACTVS	3.370	C[C@@]12CCN[C@@H]1Nc3ccc(O)cc23
Canonical SMILES	OpenEye OEToolkits	1.7.2	C[C@@]12CCN[C@@H]1Nc3c2cc(cc3)O
InChI	InChI	1.03	InChI=1S/C11H14N2O/c1-11-4-5-12-10(11)13-9-3-2-7(14)6-8(9)11/h2-3,6,10,12-14H,4-5H2,1H3/t10-,11+/m1/s1
InChIKey	InChI	1.03	BLEHTFVVORLVPX-MNOVXSKESA-N

Related Resource References

Resource Name	Reference
PubChem	56965941

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.