3,5-Dihydroxy-2-[[1-oxo-3-(3,4,5-trihydroxyphenyl)-2-propenyl]amino]benzoic acid; (E)-form, 5-O-β-Glucopyranoside
AlkaPlorer ID: AK296375
Synonym: Miriamide 5-glucoside
IUPAC Name: None
Structure
SMILES: O=C(/C=C\C1=CC(O)=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C1)NC1=C(O)C=C(O)C=C1C(=O)O
InChI: InChI=1S/C22H23NO13/c24-7-14-18(30)19(31)20(32)22(36-14)35-13-4-8(3-12(27)17(13)29)1-2-15(28)23-16-10(21(33)34)5-9(25)6-11(16)26/h1-6,14,18-20,22,24-27,29-32H,7H2,(H,23,28)(H,33,34)/b2-1-
InChIKey: WBRCWQFPHORQRK-UPHRSURJSA-N
Reference
CAS: 153566-00-8
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pieris brassicae | Pieris | Pieridae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 509.4200000000002
TPSA？: 246.7
MolLogP？: -0.9622000000000008
Number of H-Donors: 10
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|