Claulansine G
PubChem CID: 57409551
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| Compound Synonyms | Claulansine G, CHEMBL2036038 |
|---|---|
| Topological Polar Surface Area | 42.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 508.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-methoxy-2-propan-2-ylidene-1,9-dihydrocyclopenta[b]carbazol-3-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Is Pains | False |
| Molecular Formula | C19H17NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JTLPYPDVILWNBL-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Rotatable Bond Count | 1.0 |
| Compound Name | Claulansine G |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 291.126 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 291.126 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 291.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.909342727272727 |
| Inchi | InChI=1S/C19H17NO2/c1-10(2)12-8-15-14(18(12)21)9-13-11-6-4-5-7-16(11)20-17(13)19(15)22-3/h4-7,9,20H,8H2,1-3H3 |
| Smiles | CC(=C1CC2=C(C1=O)C=C3C4=CC=CC=C4NC3=C2OC)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Lansium (Plant) Rel Props:Source_db:cmaup_ingredients