UNPD138427
AlkaPlorer ID: AK336816
Synonym: None
IUPAC Name: (2S)-4-[2-[(2S)-2-carboxy-5-[(2S,3R,4S,5S,6R)-3-[(2R,3S,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
Structure
SMILES: O=C([O-])C1=CC(=CC=[N+]2C3=CC(O)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]4O)C=C3C[C@H]2C(=O)O)C[C@@H](C(=O)O)N1
InChI: InChI=1S/C30H34N2O19/c33-8-17-18(35)20(37)24(51-29-22(39)19(36)21(38)23(50-29)28(46)47)30(49-17)48-16-6-10-5-14(27(44)45)32(13(10)7-15(16)34)2-1-9-3-11(25(40)41)31-12(4-9)26(42)43/h1-3,6-7,12,14,17-24,29-30,33,35-39H,4-5,8H2,(H5,34,40,41,42,43,44,45,46,47)/t12-,14-,17+,18+,19-,20-,21-,22-,23-,24+,29-,30+/m0/s1
InChIKey: ATSKDYKYMQVTGH-NIHCMDFFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Celosia cristata | Celosia | Amaranthaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 726.5970000000002
TPSA？: 345.6
MolLogP？: -5.781799999999989
Number of H-Donors: 11
Number of H-Acceptors: 17
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|