10-O-methylhostasine
AlkaPlorer ID: AK113391
Synonym: None
IUPAC Name: (3R,5'S,6'R,7'aR)-5',6'-dihydroxy-5,6,7-trimethoxy-1'-methylspiro[2-benzofuran-3,7'-3,5,6,7a-tetrahydro-2H-indole]-1-one
Structure
SMILES: COC1=CC2=C(C(=O)O[C@]23[C@H](O)[C@@H](O)C=C2CCN(C)[C@H]23)C(OC)=C1OC
InChI: InChI=1S/C19H23NO7/c1-20-6-5-9-7-11(21)17(22)19(16(9)20)10-8-12(24-2)14(25-3)15(26-4)13(10)18(23)27-19/h7-8,11,16-17,21-22H,5-6H2,1-4H3/t11-,16+,17+,19+/m0/s1
InChIKey: ARKFTBZTMGGQCK-GIYVSIDVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hosta plantaginea | Hosta | Asparagaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 377.39300000000014
TPSA？: 97.69
MolLogP？: 0.4439999999999997
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | IC50 | 113000.0 | nM | 10.1021/np0702077 |