Claulansine J
PubChem CID: 57409655
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| Compound Synonyms | Claulansine J, CHEMBL2036041 |
|---|---|
| Topological Polar Surface Area | 82.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 350.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,7-dihydroxy-6-methoxy-9H-carbazole-3-carbaldehyde |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Is Pains | False |
| Molecular Formula | C14H11NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SSKMMRPVAASZHW-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Rotatable Bond Count | 2.0 |
| Compound Name | Claulansine J |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 257.069 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 257.069 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 257.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4850347894736844 |
| Inchi | InChI=1S/C14H11NO4/c1-19-14-3-9-8-2-7(6-16)12(17)4-10(8)15-11(9)5-13(14)18/h2-6,15,17-18H,1H3 |
| Smiles | COC1=C(C=C2C(=C1)C3=C(N2)C=C(C(=C3)C=O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Lansium (Plant) Rel Props:Source_db:cmaup_ingredients