9-methyl-6-methylidene-2-oxo-4-(piperidin-3-yloxy)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-3-carboxylic acid
AlkaPlorer ID: AK356561
Synonym: None
IUPAC Name: (3R,3aR,4S,6aR,9aR,9bR)-9-methyl-6-methylidene-2-oxo-4-[(3S)-piperidin-3-yl]oxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6a,7,9a,9b-octahydroazuleno[4,5-b]furan-3-carboxylic acid
Structure
SMILES: C=C1C[C@H](O[C@H]2CCCNC2)[C@H]2[C@H](C(=O)O)C(=O)O[C@@H]2[C@H]2C(C)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12
InChI: InChI=1S/C26H37NO11/c1-10-6-15(35-12-4-3-5-27-8-12)18-19(24(32)33)25(34)38-23(18)17-11(2)14(7-13(10)17)36-26-22(31)21(30)20(29)16(9-28)37-26/h12-13,15-23,26-31H,1,3-9H2,2H3,(H,32,33)/t12-,13-,15-,16+,17-,18-,19+,20+,21-,22+,23+,26+/m0/s1
InChIKey: CNKIBFUYXUADJG-KBUDCCMOSA-N
Reference
Studies on the Constituents of Whole Plants of Youngia japonica
PubChem CID: 163187916
LOTUS: LTS0030019
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Youngia japonica | Youngia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 539.5780000000002
TPSA？: 184.24
MolLogP？: -0.947499999999996
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|