6-O-methyl-N-deacetylisoipecosidic acid
AlkaPlorer ID: AK150006
Synonym: None
IUPAC Name: (2S,3R,4S)-3-ethenyl-4-[[(1R)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
Structure
SMILES: C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1C[C@H]1NCCC2=C1C=C(O)C(OC)=C2
InChI: InChI=1S/C25H33NO11/c1-3-12-14(7-16-13-8-17(28)18(34-2)6-11(13)4-5-26-16)15(23(32)33)10-35-24(12)37-25-22(31)21(30)20(29)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-31H,1,4-5,7,9H2,2H3,(H,32,33)/t12-,14+,16-,19-,20-,21+,22-,24+,25+/m1/s1
InChIKey: SQIULMODQKFOOJ-MDXCLUIBSA-N
Reference
Tetrahydroisoquinoline-monoterpene and iridoid glycosides from Alangium lamarckii
PubChem CID: 10649711
LOTUS: LTS0208973
SuperNatural Ⅲ: SN0352537-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alangium kurzii | Alangium | Cornaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 523.5350000000004
TPSA？: 187.4
MolLogP？: -0.462599999999999
Number of H-Donors: 7
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|