Budmunchiamine L5
PubChem CID: 5315524
Connections displayed (default: 10).
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| Compound Synonyms | Budmunchiamine L5, 8-pentadecyl-1,5,9,13-tetrazacycloheptadecan-6-one, CHEMBL1173580, 195734-29-3 |
|---|---|
| Topological Polar Surface Area | 65.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 419.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-pentadecyl-1,5,9,13-tetrazacycloheptadecan-6-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.2 |
| Molecular Formula | C28H58N4O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NKUXWPLJVSOWSO-UHFFFAOYSA-N |
| Fcsp3 | 0.9642857142857144 |
| Logs | -2.516 |
| Rotatable Bond Count | 14.0 |
| Logd | 3.205 |
| Compound Name | Budmunchiamine L5 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 466.461 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 466.461 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 466.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.446953800000002 |
| Inchi | InChI=1S/C28H58N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-27-26-28(33)32-25-18-23-30-21-16-15-20-29-22-17-24-31-27/h27,29-31H,2-26H2,1H3,(H,32,33) |
| Smiles | CCCCCCCCCCCCCCCC1CC(=O)NCCCNCCCCNCCCN1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Albizia Adinocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Albizia Amara (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Albizia Chinensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Albizia Gummifera (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Albizia Inundata (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Albizia Julibrissin (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Albizia Lebbeck (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Albizia Lucidior (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Albizia Myriophylla (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Albizia Odoratissima (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Albizia Procera (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Albizia Saman (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Albizia Schimperana (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Albizzia Chinensis (Plant) Rel Props:Reference: