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Summary Geometry Related PDB entries

OR9

Summary

Name:	(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Formula:	C17 H17 N O2
Formal charge:	0
Formula weight:	267.322 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
OpenEye OEToolkits	2.0.7	(6~{a}~{R})-6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C12Cc4ccc(c(c4c3c1c(CCN2C)ccc3)O)O
InChI	InChI	1.03	InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
InChIKey	InChI	1.03	VMWNQDUVQKEIOC-CYBMUJFWSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1CCc2cccc3c2[C@H]1Cc4ccc(O)c(O)c34
SMILES	CACTVS	3.385	CN1CCc2cccc3c2[CH]1Cc4ccc(O)c(O)c34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O
SMILES	OpenEye OEToolkits	2.0.7	CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O

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