Kealiinine A
AlkaPlorer ID: AK063471
Synonym: None
IUPAC Name: 2-amino-6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol
Structure
SMILES: COC1=CC=C(C2=C3NC(=N)N(C)C3=CC3=CC(OC)=C(O)C=C23)C=C1
InChI: InChI=1S/C20H19N3O3/c1-23-15-8-12-9-17(26-3)16(24)10-14(12)18(19(15)22-20(23)21)11-4-6-13(25-2)7-5-11/h4-10,24H,1-3H3,(H2,21,22)
InChIKey: LWHVSHIPEZJGGL-UHFFFAOYSA-N
Reference
New Imidazole Alkaloids from the Indonesian Sponge <i>Leucetta </i><i>c</i><i>hagosensis</i>
PubChem CID: 9997944
CAS: 700813-15-6
LOTUS: LTS0165263
NPASS: NPC25897
COCONUT: CNP0124124
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 349.3900000000001
TPSA？: 83.26
MolLogP？: 3.5288700000000013
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia salina | Artemia salina | Activity | 50.0 | % | 10.1021/np0305223 |
| Cladosporium herbarum | Cladosporium herbarum | Activity | nan | None | 10.1021/np0305223 |
| Homo sapiens | MCF7 | IC50 | 23400.0 | nM | 10.1016/j.bmcl.2013.08.093 |
| Homo sapiens | MCF7 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2017.01.024 |