Borreline
AlkaPlorer ID: AK290871
Synonym: None
IUPAC Name: (3-ethenyl-3,5-dimethyl-2,4-dihydropyrrol-2-yl)-(1H-indol-3-yl)methanone
Structure
SMILES: C=CC1(C)CC(C)=NC1C(=O)C1=CNC2=CC=CC=C12
InChI: InChI=1S/C17H18N2O/c1-4-17(3)9-11(2)19-16(17)15(20)13-10-18-14-8-6-5-7-12(13)14/h4-8,10,16,18H,1,9H2,2-3H3
InChIKey: WQTYIKZACFUZJB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Borreria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 266.34400000000005
TPSA？: 45.22
MolLogP？: 3.776100000000002
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|