Ipalbidine; (±)-form, O-[4-Hydroxy-3-methoxycinnamoyl-(→6)-β-D-glucopyranoside]
AlkaPlorer ID: AK302639
Synonym: Methoxyipomine
IUPAC Name: [3,4,5-trihydroxy-6-[4-(7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl)phenoxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Structure
SMILES: COC1=CC(C=CC(=O)OCC2OC(OC3=CC=C(C4=C(C)CC5CCCN5C4)C=C3)C(O)C(O)C2O)=CC=C1O
InChI: InChI=1S/C31H37NO9/c1-18-14-21-4-3-13-32(21)16-23(18)20-7-9-22(10-8-20)40-31-30(37)29(36)28(35)26(41-31)17-39-27(34)12-6-19-5-11-24(33)25(15-19)38-2/h5-12,15,21,26,28-31,33,35-37H,3-4,13-14,16-17H2,1-2H3
InChIKey: CBZLQXLOZOWNCD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ipomoea alba | Ipomoea | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 567.6350000000004
TPSA？: 138.15
MolLogP？: 2.4854000000000007
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|