(3,4-Dihydroxyphenyl)acetic acid; 3-Me ether, nitrile, 4-O-[α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside]
AlkaPlorer ID: AK162555
Synonym: Homovanillonitrile rutinoside, Adenophoraside C
IUPAC Name: 2-[3-methoxy-4-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]acetonitrile
Structure
SMILES: COC1=CC(CC#N)=CC=C1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O
InChI: InChI=1S/C21H29NO11/c1-9-14(23)16(25)18(27)20(31-9)30-8-13-15(24)17(26)19(28)21(33-13)32-11-4-3-10(5-6-22)7-12(11)29-2/h3-4,7,9,13-21,23-28H,5,8H2,1-2H3
InChIKey: FLQFEHUBZHWSIB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Adenophora | Campanulaceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Adenophora | Campanulaceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 471.4590000000001
TPSA？: 191.32
MolLogP？: -2.2082199999999967
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|