Hypecorine; (±)-form, 13-Oxo
AlkaPlorer ID: AK302202
Synonym: Hypecorinine, Corydalispirone
IUPAC Name: 6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-9H-[1,3]dioxolo[4,5-h]isochromene]-6'-one
Structure
SMILES: CN1CCC2=CC3=C(C=C2C12OCC1=C4OCOC4=CC=C1C2=O)OCO3
InChI: InChI=1S/C20H17NO6/c1-21-5-4-11-6-16-17(25-9-24-16)7-14(11)20(21)19(22)12-2-3-15-18(26-10-23-15)13(12)8-27-20/h2-3,6-7H,4-5,8-10H2,1H3
InChIKey: DFLLMUXSZJESOF-UHFFFAOYSA-N
Reference
The alkaloid compositions ofHypecoum erectum andH. lactiflorum
PubChem CID: 13997263
CAS: 41787-57-9
LOTUS: LTS0167581
NPASS: NPC166616
COCONUT: CNP0223187.1
Source
Properties Information
Molecule Weight: 367.3570000000001
TPSA？: 66.46000000000001
MolLogP？: 2.1978
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.7b00847 |