2-(hydroxymethyl)-6-({16-methoxy-10-azatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadeca-1(17),2,4,6,13,15-hexaen-15-yl}oxy)oxane-3,4,5-triol
AlkaPlorer ID: AK143443
Synonym: None
IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(6aR)-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Structure
SMILES: COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2CCN[C@@H]3CC4=CC=CC=C4C1=C23
InChI: InChI=1S/C23H27NO7/c1-29-22-15(30-23-21(28)20(27)19(26)16(10-25)31-23)9-12-6-7-24-14-8-11-4-2-3-5-13(11)18(22)17(12)14/h2-5,9,14,16,19-21,23-28H,6-8,10H2,1H3/t14-,16-,19-,20+,21-,23-/m1/s1
InChIKey: PPZMUQMLULQLGP-FHBOTZLTSA-N
Reference
Cytotoxic and Antimalarial Alkaloids from the Tubers of Stephania pierrei
PubChem CID: 158546
CAS: 151601-87-5
LOTUS: LTS0255130
NPASS: NPC475754
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stephania pierrei | Stephania | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 429.4690000000003
TPSA？: 120.64
MolLogP？: 0.2838000000000007
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A-431 | ED50 | 20.0 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | HT-1080 | ED50 | 20.0 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | KB | ED50 | 20.0 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | LNCaP | ED50 | 20.0 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | SK-MEL-2 | ED50 | 20.0 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | ZR-75-1 | ED50 | 20.0 | ug ml-1 | 10.1021/np50099a005 |
| Mus musculus | P388 | ED50 | 20.0 | ug ml-1 | 10.1021/np50099a005 |
| Plasmodium falciparum | Plasmodium falciparum | ED50 | 10000.0 | ng/ml | 10.1021/np50099a005 |
| None | NON-PROTEIN TARGET | ED50 | 20.0 | ug ml-1 | 10.1021/np50099a005 |