1-[(2E)-2-[(2R)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,3-dihydroindol-1-ium-2-carboxylate
AlkaPlorer ID: AK319930
Synonym: None
IUPAC Name: None
Structure
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@@H](OC3=CC4=C(C=C3[O-])CC(C(=O)O)[N+]4=CC=C3C=C(C(=O)O)N[C@@H](C(=O)O)C3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O
InChI: InChI=1S/C30H36N2O17/c1-10-20(35)22(37)24(39)29(46-10)49-25-23(38)21(36)19(9-33)48-30(25)47-18-8-15-12(7-17(18)34)6-16(28(44)45)32(15)3-2-11-4-13(26(40)41)31-14(5-11)27(42)43/h2-4,7-8,10,14,16,19-25,29-30,33,35-39H,5-6,9H2,1H3,(H4,34,40,41,42,43,44,45)/t10-,14+,16?,19+,20+,21+,22+,23-,24+,25+,29-,30-/m0/s1
InChIKey: OEGGVRHRHOLHRS-FKJWJFHMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nepeta cataria | Nepeta | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 696.6150000000006
TPSA？: 308.29999999999995
MolLogP？: -4.143799999999994
Number of H-Donors: 10
Number of H-Acceptors: 15
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|