(2E)-3-(4-hydroxyphenyl)-N-[2-(5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]prop-2-enamide
AlkaPlorer ID: AK447370
Synonym: None
IUPAC Name: (E)-3-(4-hydroxyphenyl)-N-[2-[5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]prop-2-enamide
Structure
SMILES: OC[C@H]1O[C@@H](OC2=CC=C3NC=C(CCN=C(O)/C=C/C4=CC=C(O)C=C4)C3=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C25H28N2O8/c28-13-20-22(31)23(32)24(33)25(35-20)34-17-6-7-19-18(11-17)15(12-27-19)9-10-26-21(30)8-3-14-1-4-16(29)5-2-14/h1-8,11-12,20,22-25,27-29,31-33H,9-10,13H2,(H,26,30)/b8-3+/t20-,22-,23+,24-,25-/m1/s1
InChIKey: LPGWQGDUKIPAME-IQTAGMQYSA-N
Reference
Conjugated serotonins and phenolic constituents in safflower seed (Carthamus tinctorius L.).
PubChem CID: 44200708
LOTUS: LTS0196449
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ipomoea obscura | Ipomoea | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 484.5050000000001
TPSA？: 167.99
MolLogP？: 1.2645999999999995
Number of H-Donors: 7
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | RAW264.7 | Activity | nan | None | 10.1016/j.bmcl.2017.10.035 |
| Mus musculus | RAW264.7 | IC50 | 89770.0 | nM | 10.1016/j.bmcl.2017.10.035 |
| Mus musculus | RAW264.7 | IC50 | 135300.0 | nM | 10.1016/j.bmcl.2017.10.035 |