2,3,10,11-Berbinetetrol; (S)-form, 2,3-Di-Me ether
AlkaPlorer ID: AK290515
Synonym: Spinosine
IUPAC Name: 2,3-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-10,11-diol
Structure
SMILES: COC1=CC2=C(C=C1OC)C1CC3=CC(O)=C(O)C=C3CN1CC2
InChI: InChI=1S/C19H21NO4/c1-23-18-8-11-3-4-20-10-13-7-17(22)16(21)6-12(13)5-15(20)14(11)9-19(18)24-2/h6-9,15,21-22H,3-5,10H2,1-2H3
InChIKey: VAKIESMDOCVMDV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Annona spinescens | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 327.3800000000001
TPSA？: 62.16
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 | IC50 | 1008.16 | nM | None |
| Homo sapiens | Dopamine D1 receptor | Ki | 497.87 | nM | None |