1,2,3,4-Tetrahydro-6,7,8-trihydroxy-1-methylisoquinoline; (±)-form, 6,7-Di-Me ether, N-Me
AlkaPlorer ID: AK315482
Synonym: 1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxy-1,2-dimethylisoquinoline, 1,2,3,4-Tetrahydro-6,7-dimethoxy-1,2-dimethyl-8-isoquinolinol, Pellotine, Peyotline
IUPAC Name: 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol
Structure
SMILES: COC1=CC2=C(C(O)=C1OC)C(C)N(C)CC2
InChI: InChI=1S/C13H19NO3/c1-8-11-9(5-6-14(8)2)7-10(16-3)13(17-4)12(11)15/h7-8,15H,5-6H2,1-4H3
InChIKey: NKHMWHLJHODBEP-UHFFFAOYSA-N
Reference
On the Cactus-Alkaloids of Lophophora williamsii var. caespitosa (Kobuki-ubadama)
PubChem CID: 65742
CAS: 83-14-7
LOTUS: LTS0078592
COCONUT: CNP0339163.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pachycereus weberi | Pachycereus | Cactaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Pelecyphora aselliformis | Pelecyphora | Cactaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 237.29899999999995
TPSA？: 41.93
MolLogP？: 1.9583
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | LD50 | 52.2 | mg.kg-1 | 10.1021/acs.jnatprod.1c00381 |
| None | ADMET | LD50 | 115.0 | mg.kg-1 | 10.1021/acs.jnatprod.1c00381 |
| None | ADMET | LD50 | 200.0 | mg.kg-1 | 10.1021/acs.jnatprod.1c00381 |
| None | Unchecked | Activity | 50.0 | mg kg-1 | 10.1021/acs.jnatprod.1c00381 |