General Characteristics
2D structure
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