Plasiatine
AlkaPlorer ID: AK001525
Synonym: None
IUPAC Name: 2-[(2S,3R,7R)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-oxo-3,5-dihydro-2H-furo[2,3-f]indol-7-yl]acetonitrile
Structure
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@H](C3=CC4=C(C=C3O2)[C@@](C(=O)N4)(CC#N)O)CO)O
InChI: InChI=1S/C20H18N2O6/c1-27-17-6-10(2-3-15(17)24)18-12(9-23)11-7-14-13(8-16(11)28-18)20(26,4-5-21)19(25)22-14/h2-3,6-8,12,18,23-24,26H,4,9H2,1H3,(H,22,25)/t12-,18+,20+/m0/s1
InChIKey: GZFXNLYYNNGWHS-GCKAQTDUSA-N
Reference
PubChem CID: 154731118
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Plantago asiatica | Plantago | Plantaginaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 382.37200000000007
TPSA？: 132.04
MolLogP？: 1.66378
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Protein-tyrosine phosphatase 2C | EC50 | 970.0 | nM | 10.1021/acs.jmedchem.1c02008 |