Grycoerysodine
AlkaPlorer ID: AK072304
Synonym: None
IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(2R,13bS)-2,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-11-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Structure
SMILES: COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2CCN3CC=C4C=C[C@H](OC)C[C@@]43C2=C1
InChI: InChI=1S/C24H31NO8/c1-30-15-4-3-14-6-8-25-7-5-13-9-18(17(31-2)10-16(13)24(14,25)11-15)32-23-22(29)21(28)20(27)19(12-26)33-23/h3-4,6,9-10,15,19-23,26-29H,5,7-8,11-12H2,1-2H3/t15-,19+,20+,21-,22+,23+,24-/m0/s1
InChIKey: LDKVUIURMJHFPP-VGNMVZQISA-N
Reference
Isoflavones and alkaloids from the stem bark and seeds of erythrina senegalensis
PubChem CID: 44570487
LOTUS: LTS0118169
SuperNatural Ⅲ: SN0202490-02
NPASS: NPC49353
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythrina velutina | Erythrina | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 461.5110000000004
TPSA？: 121.08
MolLogP？: -0.1577999999999988
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Jurkat | IC50 | 44.0 | ug.mL-1 | 10.1016/j.bmcl.2008.10.111 |
| Homo sapiens | Jurkat | IC50 | 50.0 | ug.mL-1 | 10.1016/j.bmcl.2008.10.111 |
| Homo sapiens | Jurkat | Inhibition | 4.7 | % | 10.1016/j.bmcl.2008.10.111 |