morphine
AlkaPlorer ID: AK008514
Synonym: 'morphinum', '(5R,6S,9R,13S,14R)-4,5-epoxy-N-methyl-7-morphinen-3,6-diol', '(-)-Morphine', 'morfina', 'Morphia', '(5alpha,6alpha)-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol', '(7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO1BENZOFURO3,2-EISOQUINOLINE-7,9-DIOL', '(-)-morphine', '(5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol', 'Morphine', 'Morphin', 'morphium'
IUPAC Name: (4R,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Structure
SMILES: CN1CC[C@]23C4=C5C=CC(O)=C4OC2C(O)C=CC3[C@H]1C5
InChI: InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10?,11-,13?,16?,17+/m1/s1
InChIKey: BQJCRHHNABKAKU-WCDDQEBASA-N
Source
Properties Information
Molecule Weight: 285.343
TPSA？: 52.93000000000001
MolLogP？: 1.1981
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Glutaminase kidney isoform, mitochondrial | Potency | 15848.9 | nM | None |