Pseudozoanthoxanthin A; 1,N2,N8,N8-Tetra-Me
AlkaPlorer ID: AK103488
Synonym: 9-Methylparagracine
IUPAC Name: 4-N,4-N,12-N,9,13-pentamethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1,3,5,7,9,11-hexaene-4,12-diamine
Structure
SMILES: CNC1=NC2=C(C)C=CC3=NC(N(C)C)=NC3=C2N1C
InChI: InChI=1S/C14H18N6/c1-8-6-7-9-11(18-14(16-9)19(3)4)12-10(8)17-13(15-2)20(12)5/h6-7H,1-5H3,(H,15,17)
InChIKey: NZNXUEOMDKEQMO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum hernandezii | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Penicillium gladioli | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Parazoanthus | Parazoanthidae | Zoantharia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 270.34
TPSA？: 58.870000000000005
MolLogP？: 1.88422
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | GI50 | 10000.0 | nM | None |
| Homo sapiens | A498 | GI50 | 10000.0 | nM | None |
| Homo sapiens | A549 | GI50 | 10000.0 | nM | None |
| Homo sapiens | A549 | IC50 | 2.38 | ug.mL-1 | 10.1021/np50091a002 |
| Homo sapiens | ACHN | GI50 | 10000.0 | nM | None |
| Homo sapiens | BT-549 | GI50 | 10000.0 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 10000.0 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 10000.0 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 10000.0 | nM | None |
| Homo sapiens | DU-145 | GI50 | 10000.0 | nM | None |
| Homo sapiens | EKVX | GI50 | 10000.0 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 10000.0 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 10000.0 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 10000.0 | nM | None |
| Homo sapiens | HCT-8 | IC50 | 1.61 | ug.mL-1 | 10.1021/np50091a002 |
| Homo sapiens | HOP-62 | GI50 | 10000.0 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 10000.0 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 10000.0 | nM | None |
| Homo sapiens | HT-29 | GI50 | 10000.0 | nM | None |
| Homo sapiens | HT-29 | IC50 | 0.824 | ug.mL-1 | 10.1021/np50091a002 |
| Homo sapiens | IGROV-1 | GI50 | 10000.0 | nM | None |
| Homo sapiens | K562 | GI50 | 10000.0 | nM | None |
| Homo sapiens | KM12 | GI50 | 10000.0 | nM | None |
| Homo sapiens | M14 | GI50 | 10000.0 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 10000.0 | nM | None |
| Homo sapiens | MCF7 | GI50 | 10000.0 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 10000.0 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 10000.0 | nM | None |
| Homo sapiens | MDA-N | GI50 | 10000.0 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 10000.0 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 10000.0 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 10000.0 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 10000.0 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 10000.0 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 10000.0 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 10000.0 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 10000.0 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 10000.0 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 10000.0 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 10000.0 | nM | None |
| Homo sapiens | PC-3 | GI50 | 10000.0 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 10000.0 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SF-268 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SF-295 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SF-539 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SN12C | GI50 | 7961.59 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SW-620 | GI50 | 10000.0 | nM | None |
| Homo sapiens | T47D | GI50 | 10000.0 | nM | None |
| Homo sapiens | TK-10 | GI50 | 10000.0 | nM | None |
| Homo sapiens | U-251 | GI50 | 10000.0 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 10000.0 | nM | None |
| Homo sapiens | UO-31 | GI50 | 10000.0 | nM | None |
| Mus musculus | P388 | IC50 | 1.77 | ug.mL-1 | 10.1021/np50091a002 |