Dehydrodiscretamine
PubChem CID: 157159
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL5434024, 2,9-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3,10-diol, 2,9-dimethoxy-5,6-dihydroisoquinolino(2,1-b)isoquinolin-7-ium-3,10-diol, 10-hydroxy-2,9-dimethoxy-6,7-dihydro-5H-isoquinolino(2,1-b)isoquinolin-7-ium-3-one, 10-hydroxy-2,9-dimethoxy-6,7-dihydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3-one, BDBM50633756, 89560-99-6 |
|---|---|
| Topological Polar Surface Area | 62.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 447.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,9-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3,10-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C19H18NO4+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | XXLNLCVMHJBPLJ-UHFFFAOYSA-O |
| Fcsp3 | 0.2105263157894736 |
| Logs | -3.628 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.396 |
| Compound Name | Dehydrodiscretamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.124 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 324.124 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 324.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2459072000000004 |
| Inchi | InChI=1S/C19H17NO4/c1-23-18-9-13-12(8-17(18)22)5-6-20-10-14-11(7-15(13)20)3-4-16(21)19(14)24-2/h3-4,7-10,21H,5-6H2,1-2H3/p+1 |
| Smiles | COC1=C(C=C2CC[N+]3=C(C2=C1)C=C4C=CC(=C(C4=C3)OC)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Atemoya (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Annona Bullata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Annona Cherimola (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Annona Cornifolia (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Annona Glabra (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Annona Haematantha (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Annona Impressivenia (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Annona Montana (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Annona Muricata (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Annona Purpurea (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Annona Rensoniana (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Annona Reticulata (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Annona Spinescens (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Annona Stenophylla (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Dendrobium Capillipes (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Parabaena Sagittata (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Paratinospora Sagittata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Tinospora Capillipes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Tinospora Cordifolia (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Tinospora Craveniana (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Tinospora Crispa (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Tinospora Hainanensis (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Tinospora Sinensis (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Tinospora Smilacina (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Tinospora Tomentosa (Plant) Rel Props:Reference: