Ipecosidic acid
AlkaPlorer ID: AK121632
Synonym: ''
IUPAC Name: (2S,3R,4S)-4-[[(1S)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-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]1C2=CC(O)=C(O)C=C2CCN1C(C)=O
InChI: InChI=1S/C26H33NO12/c1-3-13-15(7-17-14-8-19(31)18(30)6-12(14)4-5-27(17)11(2)29)16(24(35)36)10-37-25(13)39-26-23(34)22(33)21(32)20(9-28)38-26/h3,6,8,10,13,15,17,20-23,25-26,28,30-34H,1,4-5,7,9H2,2H3,(H,35,36)/t13-,15+,17+,20-,21-,22+,23-,25+,26+/m1/s1
InChIKey: QCXXDKLITYYVTE-QIAPLWSDSA-N
Reference
Six tetrahydroisoquinoline-monoterpene glucosides from Cephaelis ipecacuanha
PubChem CID: 162957838
LOTUS: LTS0047142
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Carapichea ipecacuanha | Carapichea | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 551.5450000000003
TPSA？: 206.68
MolLogP？: -0.5067000000000002
Number of H-Donors: 7
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|