Ipecosidic acid
AlkaPlorer ID: AK302655
Synonym: None
IUPAC Name: 4-[(2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-3-ethenyl-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)C1CC1C2=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)
InChIKey: QCXXDKLITYYVTE-UHFFFAOYSA-N
Reference
Six tetrahydroisoquinoline-monoterpene glucosides from Cephaelis ipecacuanha
PubChem CID: 162957837
CAS: 137318-69-5
LOTUS: LTS0114572
COCONUT: CNP0228764.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cephaelis | 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 |
|---|