Thebacon
PubChem CID: 11508377
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Thebacon, Tebacon, Acetyldihydrocodeinone, Thebacone, Acedikon, Tebacona, Tebacone, Thebaconum, Acedikon [Czech], Tebacone [DCIT], Acetyldihydrokodeinon, Acetyldemethyldihydrothebaine, Dihydrocodeinone enol acetate, DEA No. 9315, Tebacona [INN-Spanish], Thebacone [INN-French], Thebaconum [INN-Latin], Thebacon [INN:BAN:DCF], Acedicon, Thebacon (INN), Acetyldihydrokodeinon [Czech], UNII-520D430GDK, IDS-NT-001, 466-90-0, 520D430GDK, THEBACON [INN], THEBACON [MI], Thebaine, demethyldihydro-, acetate, EINECS 207-377-2, THEBACON [WHO-DD], NSC 117860, NSC-117860, BRN 0056871, DTXSID90891944, 4-27-00-02218 (Beilstein Handbook Reference), Demethyldihydrothebaine, acetate, Acetyldihydrochodeinone, Tebacona (INN-Spanish), Thebacone (INN-French), Thebaconum (INN-Latin), Demethyldihydrothebaine acetate (ester), MORPHINAN-6-OL, 6,7-DIDEHYDRO-4,5-alpha-EPOXY-3-METHOXY-17-METHYL-, ACETATE, Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, 6-acetate, (5.alpha.)-, Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5alpha)-, Morphinan-6-ol, 6,7-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl-, acetate (ester), Thebacetyl, ((4R,4aR,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinolin-7-yl) acetate, (1S,5R,13R,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo(9.6.1.0^(1,13).0^(5,17).0^(7,18))octadeca-7,9,11(18),14-tetraen-14-yl acetate, (1S,5R,13R,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18),14-tetraen-14-yl acetate, [(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate, 10-Methoxy-4-methyl-12-oxa-4-azapentacyclo(9.6.1.0,.0,.0,)octadeca-7(18),8,10,14-tetraen-14-yl acetic acid, 10-Methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0,.0,.0,]octadeca-7(18),8,10,14-tetraen-14-yl acetic acid, Thebaine, demethyldihydro-, acetate (ester), 3-Methoxy-N-methyl-4,5-epoxymorphin-6-en-6-yl acetate, SCHEMBL25766, CHEMBL2104751, CHEBI:135449, Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate, (5.alpha.)-, Morphinan-6-ol, 6,7-didehydro-4,5.alpha.-epoxy-3-methoxy-17-methyl-, acetate (ester), Morphinan-6-ol, 6,7-didehydro-4,5.alpha.-epoxy-3-methoxy-17-methyl-,acetate, RRJQTGHQFYTZOW-ILWKUFEGSA-N, DTXCID601031456, Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5.alpha.)-, DB13458, D07386, Q2787672, Morphinan-6-ol, 6,7-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl-,acetate, Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate, (5alpha)-, Morphinan-6-ol, 6,7-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl-, acetate (ester) (8CI), 207-377-2, MORPHINAN-6-OL, 6,7-DIDEHYDRO-4,5-EPOXY-3-METHOXY-17-METHYL-, 6-ACETATE, (5ALPHA)-, Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5alpha)-(9CI), Thebacon, Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, 6-acetate, (5a)-, Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5a)- (9CI), Morphinan-6-ol, 6,7-didehydro-4,5a-epoxy-3-methoxy-17-methyl-, acetate (ester) (8CI |
|---|---|
| Topological Polar Surface Area | 48.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 619.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | [(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C20H23NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RRJQTGHQFYTZOW-ILWKUFEGSA-N |
| Fcsp3 | 0.55 |
| Logs | -2.992 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.646 |
| Compound Name | Thebacon |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 341.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 341.163 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 341.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4609234 |
| Inchi | InChI=1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4,6-7,13-14,19H,5,8-10H2,1-3H3/t13-,14+,19-,20-/m0/s1 |
| Smiles | CC(=O)OC1=CC[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC)CCN3C |
| 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