Hydroberberubin
AlkaPlorer ID: AK013540
Synonym: 'Tetrahydrothalifendine', 'MLS000737546', 'Hydroberberubin', 'MLSMR', '(+/-)-Tetrahydrothalifendine', 'SMR000528559'
IUPAC Name: (1R)-16-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol
Structure
SMILES: COC1=C(O)C=CC2=C1CN1CCC3=CC4=C(C=C3[C@H]1C2)OCO4
InChI: InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m1/s1
InChIKey: TUTLRKKYUXPDGN-OAHLLOKOSA-N
Reference
Isoquinoline Alkaloids from Corydalis taliensis
PubChem CID: 36791366
LOTUS: LTS0053200
SuperNatural Ⅲ: SN0360563-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Corydalis taliensis | Corydalis | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 325.36400000000003
TPSA？: 51.16000000000001
MolLogP？: 2.785000000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Dopamine D1 receptor | Inhibition | 95.8 | % | 10.1016/j.bmc.2012.12.016 |
| Homo sapiens | Dopamine D1 receptor | Ki | 565.0 | nM | 10.1016/j.bmc.2012.12.016 |
| Homo sapiens | Dopamine D2 receptor | Inhibition | 40.5 | % | 10.1016/j.bmc.2012.12.016 |
| Homo sapiens | Dopamine D2 receptor | Ki | nan | None | 10.1016/j.bmc.2012.12.016 |
| Homo sapiens | Serotonin 1a (5-HT1a) receptor | Inhibition | 63.6 | % | 10.1016/j.bmc.2012.12.016 |
| Homo sapiens | Serotonin 1a (5-HT1a) receptor | Ki | nan | None | 10.1016/j.bmc.2012.12.016 |
| Homo sapiens | Serotonin 2a (5-HT2a) receptor | Inhibition | 25.3 | % | 10.1016/j.bmc.2012.12.016 |
| Homo sapiens | Serotonin 2a (5-HT2a) receptor | Ki | nan | None | 10.1016/j.bmc.2012.12.016 |