Orisuaveoline A
AlkaPlorer ID: AK006124
Synonym: None
IUPAC Name: 18-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one
Structure
SMILES: O=C1C2=CC=C(O)C=C2N=C2C3=C(CCN21)C1=CC=CC=C1N3
InChI: InChI=1S/C18H13N3O2/c22-10-5-6-13-15(9-10)20-17-16-12(7-8-21(17)18(13)23)11-3-1-2-4-14(11)19-16/h1-6,9,19,22H,7-8H2
InChIKey: HZSWRGHOTULQJO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vepris suaveolens | Vepris | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 303.321
TPSA？: 70.91
MolLogP？: 2.8065
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 10000.0 | nM | 10.1021/np800276f |