UNPD97774
AlkaPlorer ID: AK385254
Synonym: None
IUPAC Name: 2-[(3E)-3-(aminomethylidene)-4-hydroxy-2-oxooxan-4-yl]but-3-enal
Structure
SMILES: C=CC(C=O)C1(O)CCOC(=O)/C1=C/N
InChI: InChI=1S/C10H13NO4/c1-2-7(6-12)10(14)3-4-15-9(13)8(10)5-11/h2,5-7,14H,1,3-4,11H2/b8-5-
InChIKey: GBJQPSBGSKNYHV-YVMONPNESA-N
Reference
Flafvonoids of Swertia purpurascens
PubChem CID: 5281564
CAS: 56050-08-9
LOTUS: LTS0145215
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Swertia ciliata | Swertia | Gentianaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 211.217
TPSA？: 89.62
MolLogP？: -0.4918999999999999
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|