(E,2R)-2-[(4R)-2-amino-1-(2,4-dihydroxybutyl)-4,5-dihydroimidazol-4-yl]-7-hydroxy-6-methylhept-5-enoic acid
PubChem CID: 73346001
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL2407430 |
|---|---|
| Topological Polar Surface Area | 140.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (E,2R)-2-[(4R)-2-amino-1-(2,4-dihydroxybutyl)-4,5-dihydroimidazol-4-yl]-7-hydroxy-6-methylhept-5-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.5 |
| Molecular Formula | C15H27N3O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OVBUHDGPEBMHDL-CSKSLPEHSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -0.522 |
| Rotatable Bond Count | 10.0 |
| Logd | -0.978 |
| Compound Name | (E,2R)-2-[(4R)-2-amino-1-(2,4-dihydroxybutyl)-4,5-dihydroimidazol-4-yl]-7-hydroxy-6-methylhept-5-enoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 329.195 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 329.195 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 329.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -0.6804614000000005 |
| Inchi | InChI=1S/C15H27N3O5/c1-10(9-20)3-2-4-12(14(22)23)13-8-18(15(16)17-13)7-11(21)5-6-19/h3,11-13,19-21H,2,4-9H2,1H3,(H2,16,17)(H,22,23)/b10-3+/t11?,12-,13+/m1/s1 |
| Smiles | C/C(=C\CC[C@H]([C@@H]1CN(C(=N1)N)CC(CCO)O)C(=O)O)/CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adathoda Zeylanica (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Adhatoda Zeylanica (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Capparis Zeylanica (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Helminthostachys Zeylanica (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Hunteria Zeylanica (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Hydrolea Zeylanica (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Kokoona Zeylanica (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Litsea Zeylanica (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Microglossa Zeylanica (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Naravelia Zeylanica (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Neolitsea Zeylanica (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Osbeckia Zeylanica (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Pavonia Zeylanica (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Plumbago Auriculata (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Plumbago Europaea (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Plumbago Indica (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Plumbago Pulchella (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Plumbago Rosea (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Plumbago Zeylanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Pouzolzia Zeylanica (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Sax Zeylanica (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Smilax Zeylanica (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Sphenoclea Zeylanica (Plant) Rel Props:Reference: