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Name | corynanthine |
---|---|
Molecular formula | C21H26N2O3 |
IUPAC name | methyl (1S,15R,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate |
Molecular weight | 354.45 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 2.9 |
Synonyms | (1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2'''',3'''':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester ACon1_002064 BRD-K06467078-003-03-7 D00GEE Methyl (16beta,17alpha)-17-hydroxyyohimban-16-carboxylate [ Show all ] |
Inchi Key | BLGXFZZNTVWLAY-DKJBZYCGSA-N |
Inchi ID | InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19-/m0/s1 |
PubChem CID | 92766 |
ChEMBL | CHEMBL31410 |
IUPHAR | N/A |
BindingDB | 50027058 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
26563 | Alpha-1A adrenergic receptor | P35348 | ADRA1A | Homo sapiens (Human) | 466 |
26566 | Alpha-1B adrenergic receptor | P35368 | ADRA1B | Homo sapiens (Human) | 520 |
26570 | Alpha-1D adrenergic receptor | P25100 | ADRA1D | Homo sapiens (Human) | 572 |
26564 | Alpha-2A adrenergic receptor | P08913 | ADRA2A | Homo sapiens (Human) | 450 |
26567 | Alpha-2B adrenergic receptor | P18089 | ADRA2B | Homo sapiens (Human) | 450 |
26568 | Alpha-2C adrenergic receptor | P18825 | ADRA2C | Homo sapiens (Human) | 462 |
26565 | Muscarinic acetylcholine receptor M1 | P08482 | Chrm1 | Rattus norvegicus (Rat) | 460 |
26569 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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