Eupatobenzofuran, (rel)-
PubChem CID: 53262898
Connections displayed (default: 10).
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| Compound Synonyms | Eupatobenzofuran, (rel)-, CHEBI:67423, Eupatobenzofuran, CHEMBL1795987, Q27135887 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | n.a. |
| Iupac Name | [(2S,3R)-3-hydroxy-3,6-dimethyl-2H-1-benzofuran-2-yl] (Z)-2-methylbut-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C15H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QBRJXXZJFOHOGJ-KJUPGIGJSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.06 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.684 |
| Compound Name | Eupatobenzofuran, (rel)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 262.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 262.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.1525752105263156 |
| Inchi | InChI=1S/C15H18O4/c1-5-10(3)13(16)19-14-15(4,17)11-7-6-9(2)8-12(11)18-14/h5-8,14,17H,1-4H3/b10-5-/t14-,15+/m0/s1 |
| Smiles | C/C=C(/C)\C(=O)O[C@H]1[C@](C2=C(O1)C=C(C=C2)C)(C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Apocynum Cannabinum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Eupatorium Adenophorum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Eupatorium Altissimum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Eupatorium Areolare (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Eupatorium Argentinum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Eupatorium Ayapana (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Eupatorium Azureum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Eupatorium Birmanicum (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Eupatorium Cannabinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Eupatorium Capillifolium (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Eupatorium Chinense (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Eupatorium Compositifolium (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Eupatorium Cuneifolium (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Eupatorium Formosanum (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Eupatorium Fortunei (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Eupatorium Glehni (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Eupatorium Glutinosum (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Eupatorium Gracile (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Eupatorium Havanense (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Eupatorium Hyssopifolium (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Eupatorium Inulifolium (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Eupatorium Japonicum (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Eupatorium Laevigatum (Plant) Rel Props:Reference: - 24. Outgoing r'ship
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FOUND_INto/from Eupatorium Leucolepis (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Eupatorium Lindleyanum (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Eupatorium Mikanioides (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Eupatorium Odenophorum (Plant) Rel Props:Reference: - 29. Outgoing r'ship
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FOUND_INto/from Eupatorium Petiolare (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Eupatorium Rebaudianum (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Eupatorium Recurvans (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Eupatorium Riparium (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Eupatorium Rotundifolium (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Eupatorium Sachalinense (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Eupatorium Semiserratum (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Eupatorium Sternbergianum (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Eupatorium Subhastatum (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Eupatorium Urticaefolium (Plant) Rel Props:Reference: