Stepholidine
AlkaPlorer ID: AK006740
Synonym: '(-)-Stepholidine'
IUPAC Name: (13aR)-3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
Structure
SMILES: COC1=CC2=C(C=C1O)[C@H]1CC3=C(CN1CC2)C(OC)=C(O)C=C3
InChI: InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1
InChIKey: JKPISQIIWUONPB-OAHLLOKOSA-N
Reference
PubChem CID: 12442999
CAS: 1258935-41-9
LOTUS: LTS0266501
SuperNatural Ⅲ: SN0167978-02
NPASS: NPC2413
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fibraurea recisa | Fibraurea | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 327.38
TPSA？: 62.16000000000001
MolLogP？: 2.770500000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Dopamine D1 receptor | Inhibition | 94.4 | % | 10.1016/j.bmc.2012.12.016 |
| Homo sapiens | Dopamine D1 receptor | Ki | 135.0 | nM | 10.1016/j.bmc.2012.12.016 |
| Homo sapiens | Dopamine D2 receptor | Inhibition | 53.7 | % | 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 | 53.6 | % | 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 | 16.4 | % | 10.1016/j.bmc.2012.12.016 |
| Homo sapiens | Serotonin 2a (5-HT2a) receptor | Ki | nan | None | 10.1016/j.bmc.2012.12.016 |