UNPD157874
AlkaPlorer ID: AK319782
Synonym: None
IUPAC Name: (2S)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate
Structure
SMILES: O=C(/C=C\C1=CC=C(O)C=C1)OC[C@H]1O[C@@H](OC2=CC3=C(C=C2O)C[C@@H](C(=O)[O-])/[N+]3=C\C=C2\C=C(C(=O)O)N[C@H](C(=O)O)C2)[C@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C33H32N2O15/c36-18-4-1-15(2-5-18)3-6-26(38)48-14-25-27(39)28(40)29(41)33(50-25)49-24-13-21-17(12-23(24)37)11-22(32(46)47)35(21)8-7-16-9-19(30(42)43)34-20(10-16)31(44)45/h1-9,12-13,20,22,25,27-29,33,39-41H,10-11,14H2,(H5,36,37,38,42,43,44,45,46,47)/t20-,22-,25+,27+,28-,29+,33+/m0/s1
InChIKey: DZZRFXSVXQHJLV-DOHUEXTKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gomphrena globosa | Gomphrena | Amaranthaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 696.6180000000005
TPSA？: 275.67999999999995
MolLogP？: -1.728399999999997
Number of H-Donors: 8
Number of H-Acceptors: 14
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|