General Information of the Compound
Compound ID
CP0155744
Compound Name
(S)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
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Synonyms
(+)-Glaucine
(S)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
(S)-5,6,6a7-Tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo(de,g)quinoline
1,2,9,10-Tetramethoxy-6a-alpha-aporphine
475-81-0
6a-alpha-APORPHINE, 1,2,9,10-TETRAMETHOXY-
Boldine dimethyl ether
Bromcholitin
CHEBI:5373
CHEMBL228082
EINECS 207-501-5
GLAUCINE
Glaucine
Glaucine fumarate
Glaucine, d
Glauvent
NSC 34396
NSC34396
NU19306XA7
S-(+)-Glaucine
UNII-NU19306XA7
d-Glaucine
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Structure
Formula
C21H25NO4
Molecular Weight
355.434
Canonical SMILES
COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
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InChI
InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1
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InChIKey
RUZIUYOSRDWYQF-HNNXBMFYSA-N
CAS
475-81-0
Physicochemical Property
logP
3.4731
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
40.16
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 16754
SID: 15423236
ChEMBL ID
CHEMBL228082
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 171 nM
   TI
   LI
   LO
   TS
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 966 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 966 nM
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 43 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( GLAUCINE )
Drug Name GLAUCINE
Target(s)
Dopamine D2 receptor (D2R)
Inhibitor
Dopamine D1 receptor (D1R)
Inhibitor