Claulansine F
PubChem CID: 57409550
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| Compound Synonyms | Claulansine F, CHEMBL2035835 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 51.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | QBWFLAHUWCLAKK-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Compound Name | Claulansine F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 307.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 307.121 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 503.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 307.3 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -4.388024669565218 |
| Inchi | InChI=1S/C19H17NO3/c1-19(2)7-6-13-17-15(8-11(10-21)18(13)23-19)14-9-12(22-3)4-5-16(14)20-17/h4-10,20H,1-3H3 |
| Smiles | CC1(C=CC2=C(O1)C(=CC3=C2NC4=C3C=C(C=C4)OC)C=O)C |
| Xlogp | 3.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C19H17NO3 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Lansium (Plant) Rel Props:Source_db:cmaup_ingredients