General Characteristics
| NatID | 1409 |
| Common Name | NatID_1409 |
| Molecular Formula | C13H10N2O2 |
| Chemical Class | Indoles and derivatives > Pyridoindoles |
| Molecular Weight | 226.074 g/mol |
| Other names | 228091-07-4 |
Representations
| Smiles | C[n+]1cc2[nH]c3ccccc3c2cc1C(=O)[O-] |
| Inchi | InChI=1S/C13H10N2O2/c1-15-7-11-9(6-12(15)13(16)17)8-4-2-3-5-10(8)14-11/h2-7H,1H3,(H,16,17) |
| Inchi Key | SBBAFANGKJSOIR-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 0.51 |
| TPSA | 59.80 |
| HBD | 1 |
| HBA | 2 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 3 |
| Heavy Atoms | 17 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 2 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10041 | Lignopsis spongiosa | No | Low | Cabrera, G. M., & Seldes, A. M. (1999). A β-Carboline Alkaloid from the Soft Coral Lignopsis spongiosum. Journal of Natural Products, 62(5), 759–760. https://doi.org/10.1021/np980429s |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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