Tyraminoporphine; 4-Demethoxy
AlkaPlorer ID: AK048993
Synonym: Daurioxoisoporphine A
IUPAC Name: 10-[2-(4-hydroxyphenyl)ethylamino]-5,11-dimethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one
Structure
SMILES: COC1=CC=C2C(=C1)C(=O)C1=C(NCCC3=CC=C(O)C=C3)C(OC)=CC3=CC=NC2=C13
InChI: InChI=1S/C26H22N2O4/c1-31-18-7-8-19-20(14-18)26(30)23-22-16(10-12-27-24(19)22)13-21(32-2)25(23)28-11-9-15-3-5-17(29)6-4-15/h3-8,10,12-14,28-29H,9,11H2,1-2H3
InChIKey: MFZIOXKFMPCZNK-UHFFFAOYSA-N
Reference
Cytotoxic Oxoisoaporphine Alkaloids from <i>Menispermum </i><i>d</i><i>auricum</i>
PubChem CID: 10477546
CAS: 356047-64-8
LOTUS: LTS0000654
SuperNatural Ⅲ: SN0224650
NPASS: NPC208522
COCONUT: CNP0216373
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Menispermum dauricum | Menispermum | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 426.47200000000015
TPSA？: 80.68
MolLogP？: 4.823600000000003
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 8800.0 | nM | 10.1021/np000532t |
| Homo sapiens | AGS | IC50 | 3000.0 | nM | 10.1021/np100370g |
| Homo sapiens | HL-60 | IC50 | 50000.0 | nM | 10.1021/np000532t |
| Homo sapiens | J82 | IC50 | 3000.0 | nM | 10.1021/np100370g |
| Homo sapiens | MCF7 | IC50 | 3000.0 | nM | 10.1021/np000532t |
| Homo sapiens | SK-MES-1 | IC50 | 3000.0 | nM | 10.1021/np100370g |
| Mus musculus | P388 | IC50 | 30500.0 | nM | 10.1021/np000532t |
| None | NON-PROTEIN TARGET | IC50 | 3000.0 | nM | 10.1021/np100370g |