(3S,5S)-5-[(3S,9R,9aS)-9-[(1S)-1-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]propyl]-octahydro-1H-pyrrolo[1,2-a]azepin-3-yl]-3-methyloxolan-2-one
AlkaPlorer ID: AK203300
Synonym: None
IUPAC Name: (3S,5S)-5-[(3S,9R,9aS)-9-[(1S)-1-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]propyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepin-3-yl]-3-methyloxolan-2-one
Structure
SMILES: CC[C@@H]([C@H]1CCCCN2[C@H]1CC[C@H]2[C@@H]1C[C@H](C)C(=O)O1)[C@H]1C[C@H](C)C(=O)O1
InChI: InChI=1S/C22H35NO4/c1-4-15(19-11-13(2)21(24)26-19)16-7-5-6-10-23-17(16)8-9-18(23)20-12-14(3)22(25)27-20/h13-20H,4-12H2,1-3H3/t13-,14-,15-,16+,17-,18-,19+,20-/m0/s1
InChIKey: JPIFQMSMUJHUBQ-SQTHQVPUSA-N
Reference
New Pyrrolo[1,2-a]azepine Type Alkaloids from Stemona and Stichoneuron (Stemonaceae)
PubChem CID: 162870990
LOTUS: LTS0211155
SuperNatural Ⅲ: SN0171623-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stichoneuron caudatum | Stichoneuron | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 377.5250000000002
TPSA？: 55.84
MolLogP？: 3.5489000000000024
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|