(1R,12R,13S,18R)-1,13,17,17-tetramethyl-2-azapentacyclo[10.8.0.0²,¹⁰.0³,⁸.0¹³,¹⁸]icosa-3,5,7,9-tetraen-16-one
AlkaPlorer ID: AK065314
Synonym: None
IUPAC Name: (1R,12R,13S,18R)-1,13,17,17-tetramethyl-2-azapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,9-tetraen-16-one
Structure
SMILES: CC1(C)C(=O)CC[C@]2(C)[C@H]3CC4=CC5=CC=CC=C5N4[C@]3(C)CC[C@@H]12
InChI: InChI=1S/C23H29NO/c1-21(2)18-9-12-23(4)19(22(18,3)11-10-20(21)25)14-16-13-15-7-5-6-8-17(15)24(16)23/h5-8,13,18-19H,9-12,14H2,1-4H3/t18-,19+,22-,23+/m0/s1
InChIKey: NEPLKJAINOWIJL-JFSTXAPLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Greenwayodendron suaveolens | Greenwayodendron | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 335.49100000000016
TPSA？: 22.0
MolLogP？: 5.334200000000005
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MRC5 | Activity | nan | None | 10.1016/j.bmcl.2010.04.145 |
| Trypanosoma brucei | 6-phospho-1-fructokinase | Ki/Km | 0.05 | None | 10.1016/j.bmcl.2010.04.145 |