Coryternatine B
PubChem CID: 49862537
Connections displayed (default: 10).
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| Compound Synonyms | CORYTERNATINE B, 2,3-dimethoxy-6-(((5S)-5,6,7,8-tetrahydro-(1,3)dioxolo(4,5-g)isoquinolin-5-yl)methyl)benzoic acid, 2,3-dimethoxy-6-[[(5S)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzoic acid, CHEMBL1209535 |
|---|---|
| Topological Polar Surface Area | 86.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 531.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2,3-dimethoxy-6-[[(5S)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C20H21NO6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KMFUNEOFNWQPNI-AWEZNQCLSA-N |
| Fcsp3 | 0.35 |
| Logs | -2.39 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.729 |
| Compound Name | Coryternatine B |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 371.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 371.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 371.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3431006888888892 |
| Inchi | InChI=1S/C20H21NO6/c1-24-15-4-3-12(18(20(22)23)19(15)25-2)7-14-13-9-17-16(26-10-27-17)8-11(13)5-6-21-14/h3-4,8-9,14,21H,5-7,10H2,1-2H3,(H,22,23)/t14-/m0/s1 |
| Smiles | COC1=C(C(=C(C=C1)C[C@H]2C3=CC4=C(C=C3CCN2)OCO4)C(=O)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Boronia Ternata (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Corydalis Adunca (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Corydalis Ambigua (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Corydalis Aurea (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Corydalis Bungeanae (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Corydalis Calliantha (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Corydalis Cashmeriana (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Corydalis Caucasica (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Corydalis Cava (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Corydalis Chaerophylla (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Corydalis Cheilanthifolia (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Corydalis Claviculata (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Corydalis Conspersa (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Corydalis Cornuta (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Corydalis Crystallina (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Corydalis Decumbens (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Corydalis Densiflora (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Corydalis Flabellata (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Corydalis Gigantea (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Corydalis Govaniana (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Corydalis Incisa (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Corydalis Ledebouriana (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Corydalis Linearioides (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Corydalis Longicalcarata (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Corydalis Longipes (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Corydalis Marschalliana (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Corydalis Meifolia (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Corydalis Montana (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Corydalis Mucronifera (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Corydalis Ochotensis (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Corydalis Ophiocarpa (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Corydalis Pallida (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Corydalis Persica (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Corydalis Racemosa (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Corydalis Ramose (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Corydalis Remota (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Corydalis Repens (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Corydalis Rhizoma (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Corydalis Rosea (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Corydalis Rotundatour (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Corydalis Scouleri (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Corydalis Sewerzowi (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Corydalis Sheareri (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Corydalis Solida (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Corydalis Stricta (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Corydalis Suaveolens (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Corydalis Taliensis (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Corydalis Tashiroi (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Corydalis Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 50. Outgoing r'ship
FOUND_INto/from Corydalis Thalictrifolia (Plant) Rel Props:Reference: - 51. Outgoing r'ship
FOUND_INto/from Corydalis Thyrsiflora (Plant) Rel Props:Reference: - 52. Outgoing r'ship
FOUND_INto/from Corydalis Tibetica (Plant) Rel Props:Reference: - 53. Outgoing r'ship
FOUND_INto/from Corydalis Tuberosa (Plant) Rel Props:Reference: - 54. Outgoing r'ship
FOUND_INto/from Corydalis Turtschaninovii (Plant) Rel Props:Reference: - 55. Outgoing r'ship
FOUND_INto/from Corydalis Vaginans (Plant) Rel Props:Reference: - 56. Outgoing r'ship
FOUND_INto/from Corydalis Yanhusuo (Plant) Rel Props:Reference: - 57. Outgoing r'ship
FOUND_INto/from Niphogeton Ternata (Plant) Rel Props:Reference: - 58. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Reference: - 59. Outgoing r'ship
FOUND_INto/from Turpinia Ternata (Plant) Rel Props:Reference: