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Name | CHEMBL319589 |
---|---|
Molecular formula | C28H29NO4 |
IUPAC name | (4aS,6E,7aR)-6-benzylidene-4a-hydroxy-9-methoxy-3-(2-methylprop-2-enyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one |
Molecular weight | 443.543 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 5.1 |
Synonyms | 17-hydroxy-10-methoxy-4-(2-methylallyl)-15-[1-phenyl-(E)-methylidene]-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one BDBM50105779 |
Inchi Key | AGJZWNFWABFJAS-PASJRWPISA-N |
Inchi ID | InChI=1S/C28H29NO4/c1-17(2)16-29-12-11-27-23-19-9-10-21(32-3)25(23)33-26(27)24(30)20(13-18-7-5-4-6-8-18)15-28(27,31)22(29)14-19/h4-10,13,22,26,31H,1,11-12,14-16H2,2-3H3/b20-13+/t22?,26-,27?,28+/m0/s1 |
PubChem CID | 44329727 |
ChEMBL | CHEMBL319589 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
4938 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
4937 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
4939 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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