Buchapine
AlkaPlorer ID: AK291113
Synonym: 3-(1,1-Dimethyl-2-propenyl)-3-(3-methyl-2-butenyl)-2,4(1H,3H)-quinolinedione, 3-(1,1-Dimethylallyl)-3-(3,3-dimethylallyl)-1,2,3,4-tetrahydro-2,4-quinolinedione
IUPAC Name: 3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)-1H-quinoline-2,4-dione
Structure
SMILES: C=CC(C)(C)C1(CC=C(C)C)C(=O)C2=CC=CC=C2N=C1O
InChI: InChI=1S/C19H23NO2/c1-6-18(4,5)19(12-11-13(2)3)16(21)14-9-7-8-10-15(14)20-17(19)22/h6-11H,1,12H2,2-5H3,(H,20,22)
InChIKey: LAXFAGHIJVQGNK-UHFFFAOYSA-N
Reference
Buchapine — A new alkaloid fromHaplophyllum bucharicum
PubChem CID: 461150
CAS: 84017-97-0
LOTUS: LTS0157214
NPASS: NPC316746
COCONUT: CNP0332622.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haplophyllum tuberculatum | Haplophyllum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Haplophyllum bucharicum | Haplophyllum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 297.398
TPSA？: 49.66
MolLogP？: 5.025800000000005
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2