7-Amino-4-hydroxypyrido[4,3,2-mn]pyrrolo[3,2,1-de]acridine; N-Tigloyl
AlkaPlorer ID: AK286109
Synonym: Arnoamine C
IUPAC Name: (E)-N-(13-hydroxy-8,15-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,9,11(19),12,14,16-nonaen-9-yl)-2-methylbut-2-enamide
Structure
SMILES: C/C=C(\C)C(O)=NC1=CC2=CC(O)=C3N=CC=C4C5=CC=CC=C5N1C2=C34
InChI: InChI=1S/C22H17N3O2/c1-3-12(2)22(27)24-18-11-13-10-17(26)20-19-15(8-9-23-20)14-6-4-5-7-16(14)25(18)21(13)19/h3-11,26H,1-2H3,(H,24,27)/b12-3+
InChIKey: KNQDHHRMPVESSY-KGVSQERTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cystodytes | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
| Pentaceras australe | Pentaceras | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Cystodytes | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 355.39700000000005
TPSA？: 70.12
MolLogP？: 5.491500000000005
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A-375 | IC50 | 10000.0 | nM | 10.1021/np400284z |
| Homo sapiens | HCT-116 | IC50 | 18900.0 | nM | 10.1021/np400284z |
| Homo sapiens | SW480 | IC50 | 10000.0 | nM | 10.1021/np400284z |