(1S)-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-olate
AlkaPlorer ID: AK189436
Synonym: None
IUPAC Name: (1S,2R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol
Structure
SMILES: COC1=CC=C(C[C@H]2C3=CC(O)=C(OC)C=C3CC[N@@+]2(C)[O-])C=C1O
InChI: InChI=1S/C19H23NO5/c1-20(23)7-6-13-10-19(25-3)17(22)11-14(13)15(20)8-12-4-5-18(24-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-,20+/m0/s1
InChIKey: JLMWCKYUUMRSRK-MGPUTAFESA-N
Reference
Constituents of Pachygone ovata and Pharmacological Action of its Major Leaf Alkaloid
PubChem CID: 16215909
LOTUS: LTS0254542
SuperNatural Ⅲ: SN0168663-03
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pachygone ovata | Pachygone | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 345.3950000000001
TPSA？: 81.98
MolLogP？: 2.899300000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|