Bauhinoxepin G
PubChem CID: 16679965
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | BAUHINOXEPIN G, 1-methoxy-2-methyl-5,6-dihydrobenzo(b)(1)benzoxepine-3,6-diol, 1-methoxy-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine-3,6-diol, CHEMBL227741 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 334.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxy-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine-3,6-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C16H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SIOAIWJGWNUSDR-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.224 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.683 |
| Compound Name | Bauhinoxepin G |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 272.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.55056 |
| Inchi | InChI=1S/C16H16O4/c1-9-12(17)7-10-8-13(18)11-5-3-4-6-14(11)20-16(10)15(9)19-2/h3-7,13,17-18H,8H2,1-2H3 |
| Smiles | CC1=C(C=C2CC(C3=CC=CC=C3OC2=C1OC)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Purpurea (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Bauhinia Acuminata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Bauhinia Championii (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Bauhinia Divaricata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Bauhinia Ichii (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Bauhinia Malabarica (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Bauhinia Monandra (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Bauhinia Phoenicea (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Bauhinia Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Bauhinia Racemosa (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Bauhinia Retusa (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Bauhinia Roxburghiana (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Bauhinia Rufescens (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Bauhinia Scandens (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Bauhinia Semla (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Bauhinia Tomentosa (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Bauhinia Vahlii (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Bauhinia Variagata (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Bauhinia Variegata (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Cyathocline Purpurea (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Dalea Purpurea (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Digitalis Purpurea (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Dioscorea Purpurea (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Echinacea Purpurea (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Fritillaria Ebeiensis (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Galega Purpurea (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Garcinia Purpurea (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Gentiana Purpurea (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Hypoestes Purpurea (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Ilex Purpurea (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Ipomoea Purpurea (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Neonauclea Purpurea (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Oxalis Purpurea (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Rhamnus Purpurea (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Roscoea Purpurea (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Sarracenia Purpurea (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Stevia Purpurea (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Tephorisa Purpurea (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Tephrosia Purpurea (Plant) Rel Props:Reference: