Isoaquiledine
AlkaPlorer ID: AK101916
Synonym: '(+)-Isoaquiledine'
IUPAC Name: (4S)-4-[(2S)-5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl]-1,3-diazepan-2-one
Structure
SMILES: O=C1C[C@@H](C2=CC=CC=C2)OC2=C1C(O)=CC(O)=C2[C@@H]1CCCN=C(O)N1
InChI: InChI=1S/C20H20N2O5/c23-13-9-14(24)18-15(25)10-16(11-5-2-1-3-6-11)27-19(18)17(13)12-7-4-8-21-20(26)22-12/h1-3,5-6,9,12,16,23-24H,4,7-8,10H2,(H2,21,22,26)/t12-,16-/m0/s1
InChIKey: OPODLFBNKXTLEX-LRDDRELGSA-N
Reference
Aquiledine and Isoaquiledine, Novel Flavonoid Alkaloids from <i>Aquilegia ecalcarata</i>
PubChem CID: 162957543
LOTUS: LTS0254857
SuperNatural Ⅲ: SN0271825-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aquilegia ecalcarata | Aquilegia | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 368.3890000000001
TPSA？: 111.38
MolLogP？: 3.142800000000001
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|