5RL

6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol

Created:	2015-11-17
Last modified:	2021-03-01

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1 entries where 5RL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	12

2D diagram of 5RL

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Chemical Component Summary
Name	6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol
Synonyms	Apomorphine
Systematic Name (OpenEye OEToolkits)	6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol
Formula	C₁₇ H₁₇ N O₂
Molecular Weight	267.322
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1CCc2cccc3c2[CH]1Cc4ccc(O)c(O)c34
SMILES	OpenEye OEToolkits	2.0.4	CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O
Canonical SMILES	CACTVS	3.385	CN1CCc2cccc3c2[C@@H]1Cc4ccc(O)c(O)c34
Canonical SMILES	OpenEye OEToolkits	2.0.4	CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)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-/m0/s1
InChIKey	InChI	1.03	VMWNQDUVQKEIOC-ZDUSSCGKSA-N

Drug Info: DrugBank

DrugBank ID	DB16927
Name	S-Apomorphine
Groups	investigational
Synonyms	S-[+]-apomorphine S-(+)-apomorphine (6as)-5,6,6a,7-tetrahydro-6-methyl-4h-dibenzo(de,g)quinoline-10,11-diol (+)-10,11-Dihydroxyaporphine 4h-dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, (6as)- Apomorphine, s- S-Apomorphine
CAS number	39478-62-1

Related Resource References

Resource Name	Reference
Pharos	CHEMBL416288
PubChem	736083
ChEMBL	CHEMBL416288

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.