Cassythicine
AlkaPlorer ID: AK005397
Synonym: None
IUPAC Name: (12S)-17-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-16-ol
Structure
SMILES: COC1=CC2=C(C=C1O)C[C@H]1C3=C(C=C4OCOC4=C23)CCN1C
InChI: InChI=1S/C19H19NO4/c1-20-4-3-10-7-16-19(24-9-23-16)18-12-8-15(22-2)14(21)6-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1
InChIKey: MPWZJVCAMFAIGV-ZDUSSCGKSA-N
Reference
Cytotoxic and Antimalarial Alkaloids from the Tubers of Stephania pierrei
PubChem CID: 442194
CAS: 487-36-5
LOTUS: LTS0267914
SuperNatural Ⅲ: SN0232181-02
NPASS: NPC229166
data_source: manually
Source
Properties Information
Molecule Weight: 325.3640000000001
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 |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | CC50 | 47000.0 | nM | 10.1021/np970382v |
| Chlorocebus sabaeus | Vero | MTC | 31.0 | uM | 10.1021/np970382v |
| Homo sapiens | A-431 | ED50 | 10.5 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | HT-1080 | ED50 | 7.6 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | KB | ED50 | 3.0 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | LNCaP | ED50 | 6.1 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | SK-MEL-2 | ED50 | 8.9 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | ZR-75-1 | ED50 | 9.8 | ug ml-1 | 10.1021/np50099a005 |
| Mus musculus | P388 | ED50 | 5.0 | ug ml-1 | 10.1021/np50099a005 |
| Plasmodium falciparum | Plasmodium falciparum | ED50 | 2260.0 | ng/ml | 10.1021/np50099a005 |
| Plasmodium falciparum | Plasmodium falciparum | ED50 | 2290.0 | ng/ml | 10.1021/np50099a005 |
| Poliovirus 2 | Poliovirus 2 | Activity | nan | None | 10.1021/np970382v |
| Rattus norvegicus | Aorta | Activity | 98.9 | % | 10.1021/np9700735 |
| Rattus norvegicus | Aorta | Activity | 112.9 | % | 10.1021/np9700735 |
| Rattus norvegicus | Aorta | Activity | 225.0 | % | 10.1021/np9700735 |
| None | NON-PROTEIN TARGET | Activity | 0.0 | % | 10.1021/np9700735 |
| None | NON-PROTEIN TARGET | Activity | 16.2 | % | 10.1021/np9700735 |
| None | NON-PROTEIN TARGET | Activity | 51.4 | % | 10.1021/np9700735 |
| None | NON-PROTEIN TARGET | Activity | 68.1 | % | 10.1021/np9700735 |
| None | NON-PROTEIN TARGET | Activity | 69.1 | % | 10.1021/np9700735 |
| None | NON-PROTEIN TARGET | Activity | 82.5 | % | 10.1021/np9700735 |
| None | NON-PROTEIN TARGET | ED50 | 1.2 | ug ml-1 | 10.1021/np50099a005 |
| None | NON-PROTEIN TARGET | ED50 | 4.8 | ug ml-1 | 10.1021/np50099a005 |
| None | NON-PROTEIN TARGET | ED50 | 6.6 | ug ml-1 | 10.1021/np50099a005 |
| None | NON-PROTEIN TARGET | ED50 | 6.8 | ug ml-1 | 10.1021/np50099a005 |
| None | NON-PROTEIN TARGET | ED50 | 7.3 | ug ml-1 | 10.1021/np50099a005 |
| None | Platelet | Activity | 0.0 | % | 10.1021/np970348g |
| None | Platelet | Activity | 68.1 | % | 10.1021/np970348g |
| None | Platelet | Activity | nan | None | 10.1021/np970348g |
| None | Unchecked | Ratio ED50 | 2.0 | None | 10.1021/np50099a005 |
| None | Unchecked | Ratio ED50 | 3.0 | None | 10.1021/np50099a005 |