(4S)-4-benzyl-3-oxo-1H,4H-pyrrolo[2,1-c][1,4]oxazine-6-carbaldehyde
AlkaPlorer ID: AK537827
Synonym: None
IUPAC Name: 4-benzyl-3-oxo-1,4-dihydropyrrolo[2,1-c][1,4]oxazine-6-carbaldehyde
Structure
SMILES: O=CC1=CC=C2COC(=O)C(CC3=CC=CC=C3)N12
InChI: InChI=1S/C15H13NO3/c17-9-12-6-7-13-10-19-15(18)14(16(12)13)8-11-4-2-1-3-5-11/h1-7,9,14H,8,10H2
InChIKey: UMCJKAAHDXLKRZ-UHFFFAOYSA-N
Reference
A new alkaloid from the fruits of Celastrus orbiculatus
PubChem CID: 88847447
LOTUS: LTS0062836
COCONUT: CNP0197284.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Celastrus orbiculatus | Celastrus | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 255.273
TPSA？: 48.3
MolLogP？: 2.1412000000000004
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|