Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C21H24N2O4
- Molecular weight
- 368.4 g/mol
- IUPAC name
- methyl (1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
- SMILES
- C[C@H]1[C@H]2CN3CC[C@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
- InChIKey
- JMIAZDVHNCCPDM-DAFCLMLCSA-N
- XLogP
- 1.6
- Polar surface area
- 67.9 Ų
- H-bond donors
- 1
- H-bond acceptors
- 5
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Mass
- 368.173607248
Show 4 more facts
- chemical formula
- C₂₁H₂₄N₂O₄
- found in taxon
- Uncaria perrottetii
- canonical SMILES
- CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
- isomeric SMILES
- C[C@H]1[C@H]2CN3CC[C@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
Sources (2)
via Wikidata · CC0