Higenamine; (±)-form, N-Me
AlkaPlorer ID: AK300424
Synonym: N-Methylhigenamine
IUPAC Name: 1-[(4-hydroxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
Structure
SMILES: CN1CCC2=CC(O)=C(O)C=C2C1CC1=CC=C(O)C=C1
InChI: InChI=1S/C17H19NO3/c1-18-7-6-12-9-16(20)17(21)10-14(12)15(18)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,19-21H,6-8H2,1H3
InChIKey: IIOUIJTYVIHHEI-UHFFFAOYSA-N
Reference
Benzylisoquinoline Alkaloids from <i>Gnetum </i><i>p</i><i>arvifolium</i>
PubChem CID: 10589195
CAS: 66277-20-1
LOTUS: LTS0013813
NPASS: NPC484289
COCONUT: CNP0292286.1
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 285.343
TPSA？: 63.93000000000001
MolLogP？: 2.575100000000001
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Zone of skin | Activity | 4.2 | % | 10.1021/acs.jnatprod.9b01083 |
| Rattus norvegicus | Beta-2 adrenergic receptor | Activity | nan | None | 10.1016/j.bmc.2017.10.011 |
| Rattus norvegicus | Beta-2 adrenergic receptor | FC | 1.2 | None | 10.1016/j.bmc.2017.10.011 |
| None | NON-PROTEIN TARGET | Activity | 98.2 | % | 10.1021/acs.jnatprod.9b01083 |