8,8''-Biskoenigine
AlkaPlorer ID: AK057687
Synonym: ''
IUPAC Name: 10-(9-hydroxy-8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-10-yl)-8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol
Structure
SMILES: COC1=CC2=C(NC3=C4C=CC(C)(C)OC4=C(C)C=C32)C(C2=C(O)C(OC)=CC3=C2NC2=C4C=CC(C)(C)OC4=C(C)C=C23)=C1O
InChI: InChI=1S/C38H36N2O6/c1-17-13-21-23-15-25(43-7)33(41)27(31(23)39-29(21)19-9-11-37(3,4)45-35(17)19)28-32-24(16-26(44-8)34(28)42)22-14-18(2)36-20(30(22)40-32)10-12-38(5,6)46-36/h9-16,39-42H,1-8H3
InChIKey: DQRAEENKHHFBHV-UHFFFAOYSA-N
Reference
Two New Carbazole Alkaloids from <i>Murraya </i><i>k</i><i>oenigii</i>
PubChem CID: 12967046
CAS: 477890-82-7
LOTUS: LTS0269030
COCONUT: CNP0247562
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Murraya koenigii | Murraya | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 616.7140000000002
TPSA？: 108.96
MolLogP？: 9.03624
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 1.6 | ug.mL-1 | 10.1016/j.bmcl.2006.09.042 |
| Homo sapiens | Cathepsin B | IC50 | 1.3 | ug.mL-1 | 10.1021/np020468a |
| Homo sapiens | Cathepsin K | IC50 | 1.18 | ug.mL-1 | 10.1016/j.bmcl.2006.09.042 |
| Homo sapiens | DU-145 | IC50 | 1.6 | ug.mL-1 | 10.1016/j.bmcl.2006.09.042 |
| Homo sapiens | HT-29 | IC50 | 1.6 | ug.mL-1 | 10.1016/j.bmcl.2006.09.042 |
| Homo sapiens | MCF7 | IC50 | 1.6 | ug.mL-1 | 10.1016/j.bmcl.2006.09.042 |
| Homo sapiens | MDA-MB-231 | IC50 | 1.6 | ug.mL-1 | 10.1016/j.bmcl.2006.09.042 |
| Mus musculus | B16 | IC50 | 1.6 | ug.mL-1 | 10.1016/j.bmcl.2006.09.042 |
| None | ADMET | IC50 | 1.6 | ug.mL-1 | 10.1016/j.bmcl.2006.09.042 |