Anthopogochromene A
PubChem CID: 46872461
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | ANTHOPOGOCHROMENE A, (2S)-2-((E)-4,8-dimethyl-6-oxonon-3-enyl)-5-hydroxy-2,7-dimethylchromene-6-carboxylic acid, (2S)-2-[(E)-4,8-dimethyl-6-oxonon-3-enyl]-5-hydroxy-2,7-dimethylchromene-6-carboxylic acid, CHEMBL1171259 |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 635.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-[(E)-4,8-dimethyl-6-oxonon-3-enyl]-5-hydroxy-2,7-dimethylchromene-6-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C23H30O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JWCJVZVWTGSSPQ-KETROQBRSA-N |
| Fcsp3 | 0.4782608695652174 |
| Logs | -3.79 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.489 |
| Compound Name | Anthopogochromene A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 386.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.209 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 386.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.268797028571428 |
| Inchi | InChI=1S/C23H30O5/c1-14(2)11-17(24)12-15(3)7-6-9-23(5)10-8-18-19(28-23)13-16(4)20(21(18)25)22(26)27/h7-8,10,13-14,25H,6,9,11-12H2,1-5H3,(H,26,27)/b15-7+/t23-/m0/s1 |
| Smiles | CC1=CC2=C(C=C[C@](O2)(C)CC/C=C(\C)/CC(=O)CC(C)C)C(=C1C(=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhododendron Anthopogon (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Rhododendron Anthopogonoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Rhododendron Arboreum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Rhododendron Aureum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Rhododendron Barbatum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Rhododendron Brachycarpum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Rhododendron Campanulatum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Rhododendron Campylocarpum (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Rhododendron Capitatum (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Rhododendron Cinnabarinum (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Rhododendron Collettianum (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Rhododendron Dahuricum (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Rhododendron Dauricum (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Rhododendron Edgeworthii (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Rhododendron Ellipticum (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Rhododendron Falconeri (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Rhododendron Farrerae (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Rhododendron Fauriei (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Rhododendron Ferrugineum (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Rhododendron Formosanum (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Rhododendron Formosum (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Rhododendron Grande (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Rhododendron Hodgsonii (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Rhododendron Japonicum (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Rhododendron Javanicum (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Rhododendron Latoucheae (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Rhododendron Lepidotum (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Rhododendron Luteum (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Rhododendron Maximum (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Rhododendron Metternichii (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Rhododendron Micranthum (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Rhododendron Molle (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Rhododendron Mucronatum (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Rhododendron Mucronulatum (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Rhododendron Niveum (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Rhododendron Ovatum (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Rhododendron Ponticum (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Rhododendron Przewalskii (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Rhododendron Simsii (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Rhododendron Spiciforme (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Rhododendron Thomsonii (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Rhododendron Tomentosum (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Rhododendron Ungerni (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Rhododendron Vaccinioides (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Rhododendron Veitchianum (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Rhododendron Webbianum (Plant) Rel Props:Reference: