1,2-Dihydroxydibenz[cd,f]indol-4(5H)-one; 1-Me ether
AlkaPlorer ID: AK008295
Synonym: Aristolactam AII
IUPAC Name: 14-hydroxy-15-methoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
Structure
SMILES: COC1=C(O)C=C2C(O)=NC3=CC4=CC=CC=C4C1=C32
InChI: InChI=1S/C16H11NO3/c1-20-15-12(18)7-10-13-11(17-16(10)19)6-8-4-2-3-5-9(8)14(13)15/h2-7,18H,1H3,(H,17,19)
InChIKey: ZEKAIRFOYPDZNC-UHFFFAOYSA-N
Reference
The Constituents and Their Bioactivities of Houttuynia cordata
PubChem CID: 148657
CAS: 53948-07-5
LOTUS: LTS0239943
SuperNatural Ⅲ: SN0468170
NPASS: NPC119579
COCONUT: CNP0322591
data_source: manually
Source
Properties Information
Molecule Weight: 265.268
TPSA？: 62.05
MolLogP？: 3.656900000000001
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Col2 | ED50 | 5.0 | ug ml-1 | 10.1021/np060323u |
| Homo sapiens | KB | ED50 | 2.1 | ug ml-1 | 10.1021/np50053a011 |
| Homo sapiens | KB | ED50 | 5.0 | ug ml-1 | 10.1021/np060323u |
| Homo sapiens | KB | IC50 | 37000.0 | nM | 10.1021/np8004437 |
| Homo sapiens | Lu1 | ED50 | 5.0 | ug ml-1 | 10.1021/np060323u |
| Mus musculus | P388 | ED50 | 2.7 | ug ml-1 | 10.1021/np060323u |
| Mus musculus | P388 | ED50 | 3.2 | ug ml-1 | 10.1021/np50053a011 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 37000.0 | nM | 10.1021/np8004437 |
| None | ADMET | CC50 | 100000.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | B-cell | IC50 | 100000.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | NON-PROTEIN TARGET | ED50 | 5.0 | ug ml-1 | 10.1021/np060323u |
| None | Platelet | Inhibition | 78.3 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 82.5 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 86.3 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 90.0 | % | 10.1021/np000063v |
| None | T-cell | IC50 | 100000.0 | nM | 10.1016/j.bmc.2006.10.034 |