(-)-Phanostenine
AlkaPlorer ID: AK041804
Synonym: 'Phanostenine'
IUPAC Name: (12R)-16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-17-ol
Structure
SMILES: COC1=CC2=C(C=C1O)C1=C3C(=CC4=C1OCO4)CCN(C)[C@@H]3C2
InChI: InChI=1S/C19H19NO4/c1-20-4-3-10-6-16-19(24-9-23-16)18-12-8-14(21)15(22-2)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m1/s1
InChIKey: JCAGCHGPDTYNCD-CYBMUJFWSA-N
Source
Properties Information
Molecule Weight: 325.36400000000003
TPSA?: 51.16
MolLogP?: 2.881600000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A-431 | ED50 | 12.6 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | HT-1080 | ED50 | 2.9 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | KB | ED50 | 1.8 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | LNCaP | ED50 | 1.9 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | SK-MEL-2 | ED50 | 18.8 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | ZR-75-1 | ED50 | 2.1 | ug ml-1 | 10.1021/np50099a005 |
| Mus musculus | P388 | ED50 | 0.4 | ug ml-1 | 10.1021/np50099a005 |
| Plasmodium falciparum | Plasmodium falciparum | ED50 | 2010.0 | ng/ml | 10.1021/np50099a005 |
| Plasmodium falciparum | Plasmodium falciparum | ED50 | 2880.0 | ng/ml | 10.1021/np50099a005 |
| None | NON-PROTEIN TARGET | ED50 | 1.2 | ug ml-1 | 10.1021/np50099a005 |
| None | NON-PROTEIN TARGET | ED50 | 1.7 | ug ml-1 | 10.1021/np50099a005 |
| None | NON-PROTEIN TARGET | ED50 | 2.5 | ug ml-1 | 10.1021/np50099a005 |
| None | NON-PROTEIN TARGET | ED50 | 3.1 | ug ml-1 | 10.1021/np50099a005 |
| None | NON-PROTEIN TARGET | ED50 | 4.1 | ug ml-1 | 10.1021/np50099a005 |
| None | Unchecked | Ratio ED50 | 1.0 | None | 10.1021/np50099a005 |
