4-Hydroxy-3-(hydroxymethyl)-2-butenoic acid; Nitrile(E-), O-(4-hydroxy-E-cinnamoyl), O-β-D-glucopyranoside
AlkaPlorer ID: AK301205
Synonym: Sutherlandin trans-p-coumarate
IUPAC Name: [(E)-3-cyano-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]prop-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Structure
SMILES: N#C/C=C(/COC(=O)/C=C/C1=CC=C(O)C=C1)COC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C20H23NO9/c21-8-7-13(10-28-16(24)6-3-12-1-4-14(23)5-2-12)11-29-20-19(27)18(26)17(25)15(9-22)30-20/h1-7,15,17-20,22-23,25-27H,9-11H2/b6-3+,13-7-
InChIKey: JDEJUHBDYJVLND-RJFXKCBKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sorbaria sorbifolia | Sorbaria | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 421.4020000000001
TPSA？: 169.7
MolLogP？: -0.7849200000000003
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|