18-methyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-2(10),4,6,8,15-pentaene-19-carbaldehyde
AlkaPlorer ID: AK010168
Synonym: None
IUPAC Name: (1S,18R,19S,20S)-18-methyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaene-19-carbaldehyde
Structure
SMILES: C[C@H]1OC=C2C(=O)N3CCC4=C(NC5=CC=CC=C45)[C@@H]3C[C@H]2[C@@H]1C=O
InChI: InChI=1S/C20H20N2O3/c1-11-15(9-23)14-8-18-19-13(12-4-2-3-5-17(12)21-19)6-7-22(18)20(24)16(14)10-25-11/h2-5,9-11,14-15,18,21H,6-8H2,1H3/t11-,14+,15-,18+/m1/s1
InChIKey: KCMWOWTUEWHAMM-OPNLHGRLSA-N
Reference
Naucléidinal et epinaucléidinal, alcaloïdes du Nauclea latifolia
PubChem CID: 10969739
LOTUS: LTS0164095
NPASS: NPC210480
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sarcocephalus latifolius | Sarcocephalus | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 336.3910000000001
TPSA？: 62.4
MolLogP？: 2.731300000000001
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Haemophilus influenzae | Haemophilus influenzae | MBC | 12.5 | ug ml-1 | 10.1021/acs.jnatprod.9b00463 |
| Haemophilus influenzae | Haemophilus influenzae | MIC | 3.1 | ug.mL-1 | 10.1021/acs.jnatprod.9b00463 |
| Haemophilus influenzae | Haemophilus influenzae | Ratio | 4.0 | None | 10.1021/acs.jnatprod.9b00463 |