Higenamine; (R)-form, O6,N-Di-Me
AlkaPlorer ID: AK300406
Synonym: N-Methylcoclaurine
IUPAC Name: 1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Structure
SMILES: COC1=C(O)C=C2C(=C1)CCN(C)C2CC1=CC=C(O)C=C1
InChI: InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3
InChIKey: BOKVLBSSPUTWLV-UHFFFAOYSA-N
Reference
Phytochemical and antiprotozoal activity of Ocotea lancifolia
PubChem CID: 2752274
CAS: 3423-07-2
LOTUS: LTS0108577
NPASS: NPC321505
COCONUT: CNP0181011.4
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phylica rogersii | Phylica | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 299.36999999999995
TPSA？: 52.93000000000001
MolLogP？: 2.8781000000000008
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Solute carrier organic anion transporter family member 1B1 | Inhibition | 96.63 | % | 10.1124/mol.112.084152 |
| Homo sapiens | Solute carrier organic anion transporter family member 1B3 | Inhibition | 94.46 | % | 10.1124/mol.112.084152 |
| Rattus norvegicus | Adrenergic receptor alpha-1 | Ki | 2344.23 | nM | 10.1021/np030022+ |
| Rattus norvegicus | Aorta | Activity | 70.8 | % | 10.1021/np960354x |
| Rattus norvegicus | Aorta | Activity | 106.6 | % | 10.1021/np960354x |
| Rattus norvegicus | Aorta | Activity | 149.6 | % | 10.1021/np960354x |
| Rattus norvegicus | Aorta | IC50 | 24547.09 | nM | 10.1021/np030022+ |
| Rattus norvegicus | Aorta | IC50 | 67608.3 | nM | 10.1021/np030022+ |
| Rattus norvegicus | Voltage-gated L-type calcium channel | Ki | 22908.68 | nM | 10.1021/np030022+ |
| None | Platelet | Activity | 13.8 | % | 10.1021/np960354x |
| None | Platelet | Activity | 24.8 | % | 10.1021/np960354x |
| None | Platelet | Activity | 73.6 | % | 10.1021/np960354x |
| None | Platelet | Activity | 75.7 | % | 10.1021/np960354x |