Makaluvamine A
AlkaPlorer ID: AK003609
Synonym: None
IUPAC Name: 10-amino-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
Structure
SMILES: CN1C=C2CC[NH+]=C3C=C(N)C(=O)C1=C32
InChI: InChI=1S/C11H11N3O/c1-14-5-6-2-3-13-8-4-7(12)11(15)10(14)9(6)8/h4-5H,2-3,12H2,1H3/p+1
InChIKey: RUIRYCQUTHWLMZ-UHFFFAOYSA-O
Reference
Makaluvic Acids A and B: Novel Alkaloids from the Marine Sponge <i>Zyzzya fuliginosus</i>
CAS: 146555-78-4
LOTUS: LTS0218947
SuperNatural Ⅲ: SN0335527
NPASS: NPC100726
COCONUT: CNP0305618
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Zyzzya | None | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Zyzzya fuliginosa | Zyzzya | None | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Didymium bahiense | Didymium | Didymiaceae | Physariida | Eumycetozoa | Evosea | None | Eukaryota |
Properties Information
Molecule Weight: 202.237
TPSA？: 61.99
MolLogP？: -1.5101999999999978
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cricetulus griseus | XRS6 | IC50 | 80.0 | nM | 10.1021/jm3002795 |
| Homo sapiens | DNA topoisomerase II alpha | Activity | nan | None | 10.1021/np50126a008 |
| Homo sapiens | DNA topoisomerase II alpha | IC90 | 41000.0 | nM | 10.1021/jm3002795 |
| Homo sapiens | HCT-116 | Activity | nan | None | 10.1021/np50126a008 |
| Homo sapiens | HCT-116 | IC50 | 170.0 | nM | 10.1021/jm3002795 |
| Mus musculus | P388 | ED50 | 0.4 | ug ml-1 | 10.1021/np9604947 |
| None | Unchecked | Activity | nan | None | 10.1021/np010581l |
| None | Unchecked | IC50 | 5000.0 | nM | 10.1021/np010581l |