1-[(5-carboxylato-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl)methyl]-2-methyl-9H-pyrido[3,4-b]indol-2-ium
AlkaPlorer ID: AK571785
Synonym: None
IUPAC Name: 3-ethenyl-4-[(2-methylpyrido[3,4-b]indol-1-yl)methyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
Structure
SMILES: C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC1=C2N=C3C=CC=CC3=C2C=CN1C
InChI: InChI=1S/C27H30N2O9/c1-3-13-16(10-19-21-15(8-9-29(19)2)14-6-4-5-7-18(14)28-21)17(25(34)35)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-9,12-13,16,20,22-24,26-27,30-33H,1,10-11H2,2H3,(H,34,35)
InChIKey: XNROSPYMQOEREU-UHFFFAOYSA-N
Reference
β-Carboline glucoalkaloids from Strychnos mellodora
PubChem CID: 163195772
LOTUS: LTS0242248
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos mellodora | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 526.5420000000003
TPSA？: 163.73000000000002
MolLogP？: 0.7803000000000002
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|