(8aR)-7-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizine
AlkaPlorer ID: AK016649
Synonym: None
IUPAC Name: (8aR)-7-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizine
Structure
SMILES: COC1=CC=C(C2=C(C3=CC=C(OC)C(OC)=C3)C[C@H]3CCCN3C2)C=C1
InChI: InChI=1S/C23H27NO3/c1-25-19-9-6-16(7-10-19)21-15-24-12-4-5-18(24)14-20(21)17-8-11-22(26-2)23(13-17)27-3/h6-11,13,18H,4-5,12,14-15H2,1-3H3/t18-/m1/s1
InChIKey: WOAHFBLGXWXVSL-GOSISDBHSA-N
Reference
PubChem CID: 637044
CAS: 126262-27-9
LOTUS: LTS0271789
SuperNatural Ⅲ: SN0415418-01
NPASS: NPC118419
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cynanchum | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 365.4730000000002
TPSA？: 30.93
MolLogP？: 4.491300000000003
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | IC50 | 2440.0 | nM | 10.1021/np0106384 |
| None | NON-PROTEIN TARGET | IC50 | 2630.0 | nM | 10.1021/np0106384 |