Aquiledine
AlkaPlorer ID: AK028514
Synonym: ''
IUPAC Name: (4S)-4-[(2S)-5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-6-yl]-1,3-diazepan-2-one
Structure
SMILES: O=C1C[C@@H](C2=CC=CC=C2)OC2=CC(O)=C([C@@H]3CCCN=C(O)N3)C(O)=C12
InChI: InChI=1S/C20H20N2O5/c23-13-10-16-18(14(24)9-15(27-16)11-5-2-1-3-6-11)19(25)17(13)12-7-4-8-21-20(26)22-12/h1-3,5-6,10,12,15,23,25H,4,7-9H2,(H2,21,22,26)/t12-,15-/m0/s1
InChIKey: NBILMSHCIXKQRW-WFASDCNBSA-N
Reference
Aquiledine and Isoaquiledine, Novel Flavonoid Alkaloids from <i>Aquilegia ecalcarata</i>
PubChem CID: 163008769
LOTUS: LTS0243072
SuperNatural Ⅲ: SN0240865-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aquilegia ecalcarata | Aquilegia | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 368.38900000000007
TPSA？: 111.38
MolLogP？: 3.1428000000000016
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|