1,2,3,7-Tetrahydroxydibenz[cd,f]indol-4(5H)-one; 1,2,3-Tri-Me ether
AlkaPlorer ID: AK062951
Synonym: Oldhamlactam, Oldhamactam
IUPAC Name: 6-hydroxy-13,14,15-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=C2C(O)=NC3=CC4=C(O)C=CC=C4C(=C32)C(OC)=C1OC
InChI: InChI=1S/C18H15NO5/c1-22-15-12-8-5-4-6-11(20)9(8)7-10-13(12)14(18(21)19-10)16(23-2)17(15)24-3/h4-7,20H,1-3H3,(H,19,21)
InChIKey: XPAJKJNXGTXSLZ-UHFFFAOYSA-N
Reference
PubChem CID: 44422603
LOTUS: LTS0080839
SuperNatural Ⅲ: SN0436155
NPASS: NPC219170
COCONUT: CNP0128232
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fissistigma oldhamii | Fissistigma | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Annona squamosa | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Dasymaschalon trichophorum | Dasymaschalon | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 325.3200000000001
TPSA？: 80.51
MolLogP？: 3.674100000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | CC50 | 201000.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | B-cell | IC50 | 41700.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | T-cell | IC50 | 22800.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | T-cell | Ratio CC50/IC50 | 5.0 | None | 10.1016/j.bmc.2006.10.034 |
| None | Unchecked | Ratio CC50/IC50 | 9.0 | None | 10.1016/j.bmc.2006.10.034 |