Budmunchiamine K
PubChem CID: 10097795
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| Compound Synonyms | budmunchiamine K, CHEMBL468877, 1,9,13-trimethyl-8-pentadecyl-1,5,9,13-tetrazacycloheptadecan-6-one, 178494-87-6 |
|---|---|
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 501.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,9,13-trimethyl-8-pentadecyl-1,5,9,13-tetrazacycloheptadecan-6-one |
| Prediction Hob | 0.0 |
| Xlogp | 8.6 |
| Molecular Formula | C31H64N4O |
| Prediction Swissadme | 0.0 |
| Inchi Key | GSMYBFYZGNCTTL-UHFFFAOYSA-N |
| Fcsp3 | 0.967741935483871 |
| Logs | -3.592 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.157 |
| Compound Name | Budmunchiamine K |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 508.508 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 508.508 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 508.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.589856000000002 |
| Inchi | InChI=1S/C31H64N4O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-29-31(36)32-23-20-26-33(2)24-18-19-25-34(3)27-21-28-35(30)4/h30H,5-29H2,1-4H3,(H,32,36) |
| Smiles | CCCCCCCCCCCCCCCC1CC(=O)NCCCN(CCCCN(CCCN1C)C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Albizia Gummifera (Plant) Rel Props:Source_db:cmaup_ingredients