Isofebrifugine
AlkaPlorer ID: AK025025
Synonym: '', 'Isofebrifugine'
IUPAC Name: 3-[[(2S,3aS,7aR)-2-hydroxy-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridin-2-yl]methyl]quinazolin-4-one
Structure
SMILES: O=C1C2=CC=CC=C2N=CN1C[C@]1(O)C[C@@H]2NCCC[C@H]2O1
InChI: InChI=1S/C16H19N3O3/c20-15-11-4-1-2-5-12(11)18-10-19(15)9-16(21)8-13-14(22-16)6-3-7-17-13/h1-2,4-5,10,13-14,17,21H,3,6-9H2/t13-,14+,16-/m0/s1
InChIKey: YLYLCQRQSRDSQR-LZWOXQAQSA-N
Reference
Alkaloids of Dichroa Febrifuga Lour.
PubChem CID: 137795500
LOTUS: LTS0228323
SuperNatural Ⅲ: SN0453990-05
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hydrangea febrifuga | Hydrangea | Hydrangeaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 301.34600000000006
TPSA？: 76.38000000000001
MolLogP？: 0.6259999999999994
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|