Claulansine E
PubChem CID: 57409549
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Claulansine E, CHEMBL2035834 |
|---|---|
| Topological Polar Surface Area | 62.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 413.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S)-1-hydroxy-10-methoxy-2,9-dihydro-1H-cyclopenta[b]carbazol-3-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Is Pains | False |
| Molecular Formula | C16H13NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VKERTODBIWZOJC-ZDUSSCGKSA-N |
| Fcsp3 | 0.1875 |
| Rotatable Bond Count | 1.0 |
| Compound Name | Claulansine E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 267.09 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 267.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 267.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1658608 |
| Inchi | InChI=1S/C16H13NO3/c1-20-16-14-10(12(18)7-13(14)19)6-9-8-4-2-3-5-11(8)17-15(9)16/h2-6,13,17,19H,7H2,1H3/t13-/m0/s1 |
| Smiles | COC1=C2C(=CC3=C1[C@H](CC3=O)O)C4=CC=CC=C4N2 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Lansium (Plant) Rel Props:Source_db:cmaup_ingredients