Lepistamide B
PubChem CID: 54597431
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| Compound Synonyms | Lepistamide B, (3S,6S)-3-benzyl-3,6-dihydroxy-6-(2-methylpropyl)piperazine-2,5-dione, CHEBI:223118 |
|---|---|
| Topological Polar Surface Area | 98.7 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 420.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3S,6S)-3-benzyl-3,6-dihydroxy-6-(2-methylpropyl)piperazine-2,5-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Is Pains | False |
| Molecular Formula | C15H20N2O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BFFIQSKYESGUSO-GJZGRUSLSA-N |
| Fcsp3 | 0.4666666666666667 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Lepistamide B |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 292.142 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 292.142 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 292.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.563805571428571 |
| Inchi | InChI=1S/C15H20N2O4/c1-10(2)8-14(20)12(18)17-15(21,13(19)16-14)9-11-6-4-3-5-7-11/h3-7,10,20-21H,8-9H2,1-2H3,(H,16,19)(H,17,18)/t14-,15-/m0/s1 |
| Smiles | CC(C)C[C@@]1(C(=O)N[C@@](C(=O)N1)(CC2=CC=CC=C2)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ardisia Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients