3h-Strychnine
PubChem CID: 5979
Connections displayed (default: 10).
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| Compound Synonyms | Strychnin, 3h-strychnine, Prestwick_34, CHEMBL33495 |
|---|---|
| Topological Polar Surface Area | 32.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 689.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | O75496 |
| Iupac Name | (4aR,5aS,8aR,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C21H22N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QMGVPVSNSZLJIA-XBPPHNHDSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -2.898 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.72 |
| Compound Name | 3h-Strychnine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 334.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 334.168 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 334.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3068977999999998 |
| Inchi | InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16?,17-,19-,20?,21+/m0/s1 |
| Smiles | C1CN2CC3=CCOC4CC(=O)N5C6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75 |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Strychnos Aculeata (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Strychnos Aenea (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Strychnos Afzelii (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Strychnos Amazonica (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Strychnos Angustiflora (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Strychnos Camptoneura (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Strychnos Cathayensis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Strychnos Colubrina (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Strychnos Decussata (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Strychnos Diplotricha (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Strychnos Dolichothyrsa (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Strychnos Elaeocarpa (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Strychnos Erichsonii (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Strychnos Fendleri (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Strychnos Froesii (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Strychnos Gossweileri (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Strychnos Henningsii (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Strychnos Icaja (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Strychnos Ignatii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Strychnos Ledermannii (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Strychnos Ligustrina (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Strychnos Malaccensis (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Strychnos Minor (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Strychnos Nitida (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Strychnos Panamensis (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Strychnos Potatorum (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Strychnos Spinosa (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Strychnos Splendens (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Strychnos Staudtii (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Strychnos Tabascana (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Strychnos Tomentosa (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Strychnos Tricalysioides (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Strychnos Triplinervia (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Strychnos Usambarensis (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Strychnos Vanprukii (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Strychnos Wallichiana (Plant) Rel Props:Reference: