Claulansine D
PubChem CID: 57409548
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| Compound Synonyms | Claulansine D, (-)-epi-claulansine D, CHEMBL2035833 |
|---|---|
| Topological Polar Surface Area | 91.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 538.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S)-1-[(1S)-1,2-dihydroxy-2-methylpropyl]-10-methoxy-1,9-dihydrofuro[3,4-b]carbazol-3-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Is Pains | False |
| Molecular Formula | C19H19NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KDKOLSIYWLCHCE-IRXDYDNUSA-N |
| Fcsp3 | 0.3157894736842105 |
| Rotatable Bond Count | 3.0 |
| Compound Name | Claulansine D |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 341.126 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 341.126 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 341.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4851506000000008 |
| Inchi | InChI=1S/C19H19NO5/c1-19(2,23)17(21)16-13-11(18(22)25-16)8-10-9-6-4-5-7-12(9)20-14(10)15(13)24-3/h4-8,16-17,20-21,23H,1-3H3/t16-,17-/m0/s1 |
| Smiles | CC(C)([C@H]([C@@H]1C2=C(C=C3C4=CC=CC=C4NC3=C2OC)C(=O)O1)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Lansium (Plant) Rel Props:Source_db:cmaup_ingredients