7-hydroxy-9-methyl-3,10-diazatricyclo[6.4.1.0?,¹³]trideca-1,4,6,8(13)-tetraene-11-carboxylic acid
AlkaPlorer ID: AK111642
Synonym: None
IUPAC Name: (9R,11S)-7-hydroxy-9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-11-carboxylic acid
Structure
SMILES: C[C@H]1N[C@H](C(=O)O)CC2=CNC3=C2C1=C(O)C=C3
InChI: InChI=1S/C13H14N2O3/c1-6-11-10(16)3-2-8-12(11)7(5-14-8)4-9(15-6)13(17)18/h2-3,5-6,9,14-16H,4H2,1H3,(H,17,18)/t6-,9+/m1/s1
InChIKey: OGKMUYSVGRXIOH-MUWHJKNJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hyrtios reticulatus | Hyrtios | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 246.266
TPSA？: 85.35000000000001
MolLogP？: 1.5333999999999994
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | Activity | None | None | 10.1016/j.bmc.2012.05.044 |