1,2,9-Trihydroxydibenz[cd,f]indol-4(5H)-one; Tri-Me ether
AlkaPlorer ID: AK019308
Synonym: Aristolactam BIII
IUPAC Name: 4,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
Structure
SMILES: COC1=CC=C2C=C3N=C(O)C4=CC(OC)=C(OC)C(=C34)C2=C1
InChI: InChI=1S/C18H15NO4/c1-21-10-5-4-9-6-13-15-12(18(20)19-13)8-14(22-2)17(23-3)16(15)11(9)7-10/h4-8H,1-3H3,(H,19,20)
InChIKey: OQKGOEOSXXHWFQ-UHFFFAOYSA-N
Reference
Alkaloids from the Leaves of <i>Fissistigma Glaucescens</i>
PubChem CID: 14526428
CAS: 53948-10-0
LOTUS: LTS0159096
SuperNatural Ⅲ: SN0272492
NPASS: NPC260118
COCONUT: CNP0147459
Source
Properties Information
Molecule Weight: 309.3210000000001
TPSA？: 60.28
MolLogP？: 3.9685000000000015
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-15 | GI50 | 3740.0 | nM | 10.1016/j.bmcl.2009.04.020 |
| None | ADMET | CC50 | 9410.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | B-cell | IC50 | 1980.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | NON-PROTEIN TARGET | GI50 | 2700.0 | nM | 10.1016/j.bmcl.2009.04.020 |
| None | NON-PROTEIN TARGET | GI50 | 2820.0 | nM | 10.1016/j.bmcl.2009.04.020 |
| None | NON-PROTEIN TARGET | GI50 | 3350.0 | nM | 10.1016/j.bmcl.2009.04.020 |
| None | Platelet | Inhibition | 0.0 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 59.1 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 60.6 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 71.9 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 86.6 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 89.3 | % | 10.1021/np000063v |
| None | T-cell | IC50 | 2290.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | T-cell | Ratio CC50/IC50 | 4.0 | None | 10.1016/j.bmc.2006.10.034 |
| None | Unchecked | Ratio CC50/IC50 | 4.0 | None | 10.1016/j.bmc.2006.10.034 |