Normorphinone, N-allyl-dihydro-14-hydroxy-
PubChem CID: 4425
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| Compound Synonyms | 4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one, Naloxone(-), Nalone (Salt/Mix), Narcan (Salt/Mix), Normorphinone, N-allyl-dihydro-14-hydroxy-, Oprea1_030545, CHEMBL609673, SCHEMBL10031249, BDBM86260, CHEBI:91663, Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5.alpha.)-, UZHSEJADLWPNLE-UHFFFAOYSA-N, NSC_10064, CAS_465-65-6, L000674, BRD-A37541666-003-01-6, Q27163485, 17-Allyl-4,5-.alpha.-epoxy-3,14-dihydroxymorphinan-6-one, Morphinan-6-one, 17-allyl-4,5.alpha.-epoxy-3,14-dihydroxy-, Morphinan-6-one, 4,5.alpha.-epoxy-3,14-dihydroxy-17-(2-propenyl)-, Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propen-1-yl)-, (5.alpha.)-, 12-Allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy-4aH-8,9c-iminoethanophenanthro(4,5-bcd)furan-5-one, 4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one, 4aH-8,9c-Iminoethanophenanthro(4,5-bcd)furan-5(6H)-one, N-allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy- |
|---|---|
| Topological Polar Surface Area | 70.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 594.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one |
| Prediction Hob | 0.0 |
| Xlogp | 2.1 |
| Molecular Formula | C19H21NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UZHSEJADLWPNLE-UHFFFAOYSA-N |
| Fcsp3 | 0.5263157894736842 |
| Logs | -2.252 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.046 |
| Compound Name | Normorphinone, N-allyl-dihydro-14-hydroxy- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 327.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 327.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 327.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2394560000000006 |
| Inchi | InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2 |
| Smiles | C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all