1,2-Dihydroxydibenz[cd,f]indol-4(5H)-one; 2-Me ether
AlkaPlorer ID: AK016225
Synonym: 1-Hydroxy-2-methoxydibenz[cd,f]indol-4(5H)-one, Piperolactam A, Aristolactam FI
IUPAC Name: 15-hydroxy-14-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=CC2=C3C(=CC4=CC=CC=C4C3=C1O)N=C2O
InChI: InChI=1S/C16H11NO3/c1-20-12-7-10-13-11(17-16(10)19)6-8-4-2-3-5-9(8)14(13)15(12)18/h2-7,18H,1H3,(H,17,19)
InChIKey: KBGNBPGXVKPRQI-UHFFFAOYSA-N
Reference
Antimycobacterial Compounds from <i>Piper </i><i>s</i><i>anctum</i>
PubChem CID: 3081016
CAS: 112501-42-5
LOTUS: LTS0137147
SuperNatural Ⅲ: SN0180885
NPASS: NPC311936
COCONUT: CNP0194478
data_source: manually
Source
Properties Information
Molecule Weight: 265.268
TPSA？: 62.05
MolLogP？: 3.6569000000000016
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 | HCT-15 | GI50 | 30000.0 | nM | 10.1016/j.bmcl.2009.04.020 |
| Homo sapiens | KB | Activity | nan | None | 10.1021/np50053a011 |
| Mus musculus | BV-2 | IC50 | 50000.0 | nM | 10.1021/acs.jnatprod.1c00055 |
| Mus musculus | P388 | Activity | nan | None | 10.1021/np50053a011 |
| None | ADMET | CC50 | 8120.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | B-cell | IC50 | 1300.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | NON-PROTEIN TARGET | GI50 | 26960.0 | nM | 10.1016/j.bmcl.2009.04.020 |
| None | NON-PROTEIN TARGET | GI50 | 30000.0 | nM | 10.1016/j.bmcl.2009.04.020 |
| None | Platelet | Inhibition | 0.0 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 14.7 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 22.2 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 83.5 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 84.1 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 84.2 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 84.3 | % | 10.1021/np000063v |
| None | T-cell | IC50 | 798.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | T-cell | Ratio CC50/IC50 | 6.0 | None | 10.1016/j.bmc.2006.10.034 |
| None | Unchecked | Inhibition | nan | % | 10.1016/j.bmcl.2016.03.010 |
| None | Unchecked | Ratio CC50/IC50 | 10.0 | None | 10.1016/j.bmc.2006.10.034 |