Andesine
AlkaPlorer ID: AK155340
Synonym: None
IUPAC Name: methyl 7-[2-(dimethylamino)ethyl]-10-hydroxy-9-methoxy-1-oxobenzo[h]isochromene-3-carboxylate
Structure
SMILES: COC(=O)C1=CC2=CC=C3C(CCN(C)C)=CC(OC)=C(O)C3=C2C(=O)O1
InChI: InChI=1S/C20H21NO6/c1-21(2)8-7-11-9-14(25-3)18(22)17-13(11)6-5-12-10-15(19(23)26-4)27-20(24)16(12)17/h5-6,9-10,22H,7-8H2,1-4H3
InChIKey: XYQHCDPZBXIAGW-UHFFFAOYSA-N
Reference
Andesine: An Alkaloidal Naphthalenopyrone
PubChem CID: 162921496
LOTUS: LTS0053128
COCONUT: CNP0190990
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis actinacantha | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Berberis darwinii | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 371.3890000000001
TPSA？: 89.21
MolLogP？: 2.5511000000000013
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|