CID 6451365
AlkaPlorer ID: AK319851
Synonym: None
IUPAC Name: (2S)-4-[(E)-2-[(2R)-2-carboxy-5,6-dihydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
Structure
SMILES: O=C1C=C2C[C@H](C(=O)O)N(/C=C/C3=CC(=C(O)O)N[C@H](C(=O)O)C3)C2=CC1=O
InChI: InChI=1S/C18H16N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13,19,23-24H,4-5H2,(H,25,26)(H,27,28)/b2-1+/t11-,13+/m0/s1
InChIKey: PHGYRWDYJWBGFA-BFIGBBASSA-N
Reference
NPASS: NPC302453
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Portulaca grandiflora | Portulaca | Portulacaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Portulaca pilosa | Portulaca | Portulacaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Portulaca oleracea | Portulaca | Portulacaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 388.33200000000016
TPSA？: 164.47
MolLogP？: 0.2790999999999996
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|