Makaluvamine A; N9-(4-Hydroxyphenethyl)
AlkaPlorer ID: AK045220
Synonym: Makaluvamine K
IUPAC Name: 10-[2-(4-hydroxyphenyl)ethylamino]-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(NCCC4=CC=C(O)C=C4)C(=O)C1=C32
InChI: InChI=1S/C19H19N3O2/c1-22-11-13-7-9-20-15-10-16(19(24)18(22)17(13)15)21-8-6-12-2-4-14(23)5-3-12/h2-5,10-11,21,23H,6-9H2,1H3/p+1
InChIKey: MFJASCFAUMWBMV-UHFFFAOYSA-O
Reference
3,7-Dimethylguanine, a New Purine from a Philippine Sponge Zyzzya fuliginosa.
CAS: 174232-36-1
LOTUS: LTS0094581
SuperNatural Ⅲ: SN0224125
NPASS: NPC78767
COCONUT: CNP0173232
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 |
Properties Information
Molecule Weight: 322.3880000000001
TPSA？: 68.22999999999999
MolLogP？: 0.0690000000000013
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | Activity | nan | None | 10.1016/j.bmc.2007.11.063 |
| Homo sapiens | HeLa | IC50 | 4900.0 | nM | 10.1016/j.bmc.2007.11.063 |
| Homo sapiens | HL-60 | IC50 | 6900.0 | nM | 10.1016/j.bmc.2007.11.063 |
| Homo sapiens | NCI-H460 | IC50 | 10800.0 | nM | 10.1016/j.bmc.2007.11.063 |
| Mus musculus | P388 | ED50 | 0.7 | ug ml-1 | 10.1021/np9604947 |