1-O-Acetyllycorine
Basic information
- Standard SMILES
CC(=O)O[C@H]1[C@H]2c3cc4c(cc3CN3CCC(=C[C@@H]1O)[C@H]23)OCO4- InChIKey
BIGUPJIJZYZJMV-VIBAHUMZSA-N- Molecular formula
- C18H19NO5
- Average molar mass
- 329.3 g/mol
- Monoisotopic mass
- 329.12632271
Overview
1-O-Acetyllycorine is an alkaloid.
Names & identifiers
- Preferred name
- 1-O-Acetyllycorine
- IUPAC
- [(1S,17S,18S,19S)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl] acetate
Names & synonyms
1-O-Acetyllycorine1-AcetyllycorineCHEMBL2510771-Acetoxylycorine[(1S,17S,18S,19S)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl] acetateC12166Lycorine-monoacetateSCHEMBL12319390CHEBI:31045DTXSID801360023BDBM50221063PD179407
Show more names
Q27114096(1S,2S,12bS,12cS)-1,2-Diol-2,4,5,7, 12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1-acetateacetic acid (1S,2S,12bS,12cS)-2-hydroxy-1,2,4,5,12b,12c-hexahydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-1-yl ester
Database identifiers
- PubChem CID
- 443672
- DTXSID
DTXSID801360023- ChEMBL
CHEMBL251077- ChEBI
CHEBI:31045- Nikkaji
- J1.335.542H
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 578
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…