Claulansine I
PubChem CID: 57409553
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| Compound Synonyms | Claulansine I, CHEMBL2036040, SCHEMBL19346342 |
|---|---|
| Topological Polar Surface Area | 53.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 415.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-2-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Is Pains | False |
| Molecular Formula | C18H17NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QVEMARUSFKFNJG-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Rotatable Bond Count | 3.0 |
| Compound Name | Claulansine I |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 279.126 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 279.126 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 279.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.616597038095238 |
| Inchi | InChI=1S/C18H17NO2/c1-11(2)7-8-13-12(10-20)9-15-14-5-3-4-6-16(14)19-17(15)18(13)21/h3-7,9-10,19,21H,8H2,1-2H3 |
| Smiles | CC(=CCC1=C(C2=C(C=C1C=O)C3=CC=CC=C3N2)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Lansium (Plant) Rel Props:Source_db:cmaup_ingredients