2,3-dimethoxy-6-{[(5S)-6-methyl-2H,5H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl}benzoic acid
AlkaPlorer ID: AK118131
Synonym: None
IUPAC Name: 2,3-dimethoxy-6-[[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzoic acid
Structure
SMILES: COC1=CC=C(C[C@H]2C3=CC4=C(C=C3CCN2C)OCO4)C(C(=O)O)=C1OC
InChI: InChI=1S/C21H23NO6/c1-22-7-6-12-9-17-18(28-11-27-17)10-14(12)15(22)8-13-4-5-16(25-2)20(26-3)19(13)21(23)24/h4-5,9-10,15H,6-8,11H2,1-3H3,(H,23,24)/t15-/m0/s1
InChIKey: OBMCYABEWGVSQB-HNNXBMFYSA-N
Reference
Canadinic Acid: An Alkaloid from<i>Hydrastis canadensis</i>
PubChem CID: 163000392
LOTUS: LTS0063981
SuperNatural Ⅲ: SN0260895-01
NPASS: NPC82714
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Imperata cylindrica | Imperata | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 385.41600000000017
TPSA？: 77.46000000000001
MolLogP？: 2.9024
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|