(2S)-2-hexanamido-3-{1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl}propanoic acid
AlkaPlorer ID: AK240645
Synonym: None
IUPAC Name: (2S)-2-(hexanoylamino)-3-[1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]propanoic acid
Structure
SMILES: CCCCCC(O)=N[C@@H](CC1=CN([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C2=CC=CC=C12)C(=O)O
InChI: InChI=1S/C23H32N2O8/c1-2-3-4-9-18(27)24-15(23(31)32)10-13-11-25(16-8-6-5-7-14(13)16)22-21(30)20(29)19(28)17(12-26)33-22/h5-8,11,15,17,19-22,26,28-30H,2-4,9-10,12H2,1H3,(H,24,27)(H,31,32)/t15-,17-,19+,20+,21-,22+/m0/s1
InChIKey: QQCNYNJDLXQERV-PLJJNFILSA-N
Reference
Studies on the constituents of Pueraria lobata. V. A tryptophan derivative from Puerariae Flos.
PubChem CID: 162876441
LOTUS: LTS0026599
SuperNatural Ⅲ: SN0312169-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pueraria montana | Pueraria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 464.5150000000001
TPSA？: 164.97
MolLogP？: 1.146199999999999
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|