13-methyl-3,5,8-trioxa-13-azapentacyclo[10.8.0.0²,⁶.0⁷,¹¹.0¹⁴,¹⁹]icosa-1,6,9,11,14,16,18-heptaen-20-one
AlkaPlorer ID: AK257297
Synonym: None
IUPAC Name: 13-methyl-3,5,8-trioxa-13-azapentacyclo[10.8.0.02,6.07,11.014,19]icosa-1,6,9,11,14,16,18-heptaen-20-one
Structure
SMILES: CN1C2=CC=CC=C2C(=O)C2=C3OCOC3=C3OC=CC3=C21
InChI: InChI=1S/C17H11NO4/c1-18-11-5-3-2-4-9(11)14(19)12-13(18)10-6-7-20-15(10)17-16(12)21-8-22-17/h2-7H,8H2,1H3
InChIKey: QJNXQXPJTKGYLB-UHFFFAOYSA-N
Reference
Alkaloids and coumarins from roots of Ruta chalepensis
PubChem CID: 13994698
LOTUS: LTS0033913
SuperNatural Ⅲ: SN0307196
COCONUT: CNP0048827
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ruta chalepensis | Ruta | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 293.278
TPSA？: 53.6
MolLogP？: 3.1666000000000016
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|