Hydrocotarnine
AlkaPlorer ID: AK018776
Synonym: 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinoline, 1,2,3,4-Tetrahydro-8-methoxy-2-methyl-6,7-methylenedioxyisoquinoline
IUPAC Name: 4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Structure
SMILES: COC1=C2C[NH+](C)CCC2=CC2=C1OCO2
InChI: InChI=1S/C12H15NO3/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13/h5H,3-4,6-7H2,1-2H3/p+1
InChIKey: XXANNZJIZQTCBP-UHFFFAOYSA-O
Reference
Biotransformation of Phthalideisoquinoline Alkaloids by Corydalis Tissue Cultures
PubChem CID: 1715059
LOTUS: LTS0039161
NPASS: NPC59907
COCONUT: CNP0228987.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aquilaria agallochum | Aquilaria | Thymelaeaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Papaver somniferum | Papaver | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aloe microstigma | Aloe | Asphodelaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 222.264
TPSA？: 32.13
MolLogP？: -0.0053000000000003
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cytochrome P450 1A2 | AC50 | 1995.26 | nM | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | 3981.07 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | Potency | 3981.1 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | nan | None | None |
| Homo sapiens | Solute carrier organic anion transporter family member 1B1 | Inhibition | 77.76 | % | 10.1124/mol.112.084152 |
| Homo sapiens | Solute carrier organic anion transporter family member 1B3 | Inhibition | 98.91 | % | 10.1124/mol.112.084152 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |