Orisuaveoline B
AlkaPlorer ID: AK006151
Synonym: None
IUPAC Name: 6-methoxy-18,20-dioxa-3,11,24-triazahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-1(14),2,4(9),5,7,15,17(21),22-octaen-10-one
Structure
SMILES: COC1=CC=C2C(=O)N3CCC4=C(NC5=CC6=C(C=C45)OCO6)C3=NC2=C1
InChI: InChI=1S/C20H15N3O4/c1-25-10-2-3-12-14(6-10)22-19-18-11(4-5-23(19)20(12)24)13-7-16-17(27-9-26-16)8-15(13)21-18/h2-3,6-8,21H,4-5,9H2,1H3
InChIKey: XQLMMQLYXOMQKO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vepris suaveolens | Vepris | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 361.35700000000014
TPSA？: 78.37
MolLogP？: 2.8382000000000005
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Neutrophil | Activity | nan | None | 10.1021/np800276f |
| None | Neutrophil | IC50 | 22400.0 | nM | 10.1021/np800276f |
| None | NON-PROTEIN TARGET | IC50 | 31800.0 | nM | 10.1021/np800276f |