Rapocodin
PubChem CID: 3063
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| Compound Synonyms | Dihydroneopine, Drocode, Dihydrin, Codeine, dihydro-, 6.alpha.-Hydrocodol, Hydrocodin, Paracodine, Didrate, Paracodin, Parzone, (-)-Dihydrocodeine, 7,8-Dihydrocodeine, Morphinan-6.alpha.-ol, 4,5.alpha.-epoxy-3-methoxy-17-methyl-, 6-Hydroxy-3-methoxy-N-methyl-4,5-epoxymorphinan, Rapocodin, Dihydrocodeine bitartrate (Salt/Mix), Codeine, dihydro, Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.,6.alpha.)-, 3-methoxy-17-methyl-4,5-epoxymorphinan-6-ol, 6?-Hydrocodol, SCHEMBL6123622, CHEMBL4765015, DTXSID80859235, 4,5.alpha.-Epoxy-3-methoxy-17-methylmorphinan-6.alpha.-ol (+)-tartrate (salt) (Salt/Mix), AAA79538, Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.,6.alpha.)-2,3-dihydroxybutanedioate (1:1) (salt) (Salt/Mix), NSC231319, NS00124910, Morphinan-6.alpha.-ol,5.alpha.-epoxy-3-methoxy-17-methyl-, WLN: T B6566 B6/CO 4ABBC R BX HO PN GHT&&TTJ FQ JO1 P1, Morphinan-6-ol,5-epoxy-3-methoxy-17-methyl-, (5.alpha.,6.alpha.)- |
|---|---|
| Topological Polar Surface Area | 41.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 471.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C18H23NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RBOXVHNMENFORY-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.004 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.447 |
| Compound Name | Rapocodin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 301.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 301.168 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 301.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.205211381818182 |
| Inchi | InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3 |
| Smiles | CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)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