1,2-Dihydroxydibenz[cd,f]indol-4(5H)-one; Di-Me ether
AlkaPlorer ID: AK014182
Synonym: Aristolactam BII, Cepharanone B, Alkaloid Y
IUPAC Name: 14,15-dimethoxy-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=C1OC)N=C2O
InChI: InChI=1S/C17H13NO3/c1-20-13-8-11-14-12(18-17(11)19)7-9-5-3-4-6-10(9)15(14)16(13)21-2/h3-8H,1-2H3,(H,18,19)
InChIKey: YHQIYHDLBZXUON-UHFFFAOYSA-N
Reference
Antimycobacterial Compounds from <i>Piper </i><i>s</i><i>anctum</i>
PubChem CID: 162739
CAS: 53948-09-7
LOTUS: LTS0198242
SuperNatural Ⅲ: SN0450671
NPASS: NPC265383
COCONUT: CNP0233631
data_source: manually
Source
Properties Information
Molecule Weight: 279.295
TPSA？: 51.05
MolLogP？: 3.959900000000003
Number of H-Donors: 1
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 |
| Mus musculus | BV-2 | IC50 | 50000.0 | nM | 10.1021/acs.jnatprod.1c00055 |
| None | ADMET | CC50 | 11100.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | B-cell | IC50 | 7110.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | NON-PROTEIN TARGET | GI50 | 30000.0 | nM | 10.1016/j.bmcl.2009.04.020 |
| None | T-cell | IC50 | 6960.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | T-cell | Ratio CC50/IC50 | 1.0 | None | 10.1016/j.bmc.2006.10.034 |
| None | Unchecked | Ratio CC50/IC50 | 1.0 | None | 10.1016/j.bmc.2006.10.034 |