6'epsilon-hydroxybudmunchiamine C
PubChem CID: 44566838
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| Compound Synonyms | CHEMBL465575, 6'epsilon-hydroxybudmunchiamine C |
|---|---|
| Topological Polar Surface Area | 59.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 505.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(6-hydroxytridecyl)-1,9,13-trimethyl-1,5,9,13-tetrazacycloheptadecan-6-one |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 5.6 |
| Is Pains | False |
| Molecular Formula | C29H60N4O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QWFMMZFSRPWZQB-UHFFFAOYSA-N |
| Fcsp3 | 0.9655172413793104 |
| Rotatable Bond Count | 12.0 |
| Compound Name | 6'epsilon-hydroxybudmunchiamine C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 496.472 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 496.472 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 496.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.769715000000002 |
| Inchi | InChI=1S/C29H60N4O2/c1-5-6-7-8-11-18-28(34)19-12-9-10-17-27-26-29(35)30-20-15-23-31(2)21-13-14-22-32(3)24-16-25-33(27)4/h27-28,34H,5-26H2,1-4H3,(H,30,35) |
| Smiles | CCCCCCCC(CCCCCC1CC(=O)NCCCN(CCCCN(CCCN1C)C)C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Albizia Gummifera (Plant) Rel Props:Source_db:cmaup_ingredients