Borrecapine; 12,18-Didehydro, 19ξ,20-epoxide
AlkaPlorer ID: AK290867
Synonym: Borrecoxine
IUPAC Name: [5-(3,3-dimethyloxiran-2-yl)-3-ethenyl-3-methyl-2,4-dihydropyrrol-2-yl]-(1H-indol-3-yl)methanone
Structure
SMILES: C=CC1(C)CC(C2OC2(C)C)=NC1C(=O)C1=CNC2=CC=CC=C12
InChI: InChI=1S/C20H22N2O2/c1-5-20(4)10-15(18-19(2,3)24-18)22-17(20)16(23)13-11-21-14-9-7-6-8-12(13)14/h5-9,11,17-18,21H,1,10H2,2-4H3
InChIKey: LOONMQXJGLSUJE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Borreria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 322.4080000000001
TPSA？: 57.75
MolLogP？: 3.933600000000003
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|