Makaluvamine L
AlkaPlorer ID: AK003210
Synonym: None
IUPAC Name: 10-[[(E)-2-(4-hydroxyphenyl)ethenyl]amino]-7-methyl-2-aza-7-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol;2,2,2-trifluoroacetate
Structure
SMILES: C[N+]1=C2C=C(C(=C3C2=C(CC1)C=N3)O)N/C=C/C4=CC=C(C=C4)O.C(=O)(C(F)(F)F)[O-]
InChI: InChI=1S/C19H17N3O2.C2HF3O2/c1-22-9-7-13-11-21-18-17(13)16(22)10-15(19(18)24)20-8-6-12-2-4-14(23)5-3-12;3-2(4,5)1(6)7/h2-6,8,10-11H,7,9H2,1H3,(H2,20,21,23,24);(H,6,7)
InChIKey: FWPUUAMRTWIGDP-UHFFFAOYSA-N
Reference
Makaluvamines H-M and Damirone C from the Pohnpeian Sponge Zyzzya fuliginosa
PubChem CID: 135501059
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zyzzya fuliginosa | Zyzzya | Acarnidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 433.3860000000001
TPSA？: 107.99000000000001
MolLogP？: 0.8703999999999998
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DNA topoisomerase II alpha | Activity | nan | None | 10.1021/np50126a008 |
| Homo sapiens | HCT-116 | Activity | nan | None | 10.1021/np50126a008 |
| Homo sapiens | HEK293 | IC50 | 1400.0 | nM | 10.1021/jm3002795 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 21.0 | nM | 10.1021/jm3002795 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 40.0 | nM | 10.1021/jm3002795 |
| None | Unchecked | Ratio IC50 | 35.0 | None | 10.1021/jm3002795 |
| None | Unchecked | Ratio IC50 | 66.0 | None | 10.1021/jm3002795 |