Aconcaguine
AlkaPlorer ID: AK283150
Synonym: None
IUPAC Name: methyl 2-[3-[2-(dimethylamino)ethyl]-9-hydroxy-8-methoxy-1-oxobenzo[e][2]benzofuran-3-yl]acetate
Structure
SMILES: COC(=O)CC1(CCN(C)C)OC(=O)C2=C1C=CC1=CC=C(OC)C(O)=C21
InChI: InChI=1S/C20H23NO6/c1-21(2)10-9-20(11-15(22)26-4)13-7-5-12-6-8-14(25-3)18(23)16(12)17(13)19(24)27-20/h5-8,23H,9-11H2,1-4H3
InChIKey: IBXDTFMCUXUXPS-UHFFFAOYSA-N
Reference
Aconcagiune: an isoquinoline-derived alkaloid from Berberis actinacantha
PubChem CID: 163028849
LOTUS: LTS0071984
COCONUT: CNP0306996.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis actinacantha | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 373.40500000000014
TPSA？: 85.3
MolLogP？: 2.4345000000000003
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|