3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate
AlkaPlorer ID: AK035221
Synonym: None
IUPAC Name: (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
Structure
SMILES: CN=C(O)OC1=C2OC(C)(C)C(O)C2=CC=C1
InChI: InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)
InChIKey: RHSUJRQZTQNSLL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Oenanthe javanica | Oenanthe | Apiaceae | Apiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 237.255
TPSA？: 71.28000000000002
MolLogP？: 1.8136
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Bile acid receptor FXR | Potency | 1.0 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 54482.7 | nM | None |
| Homo sapiens | Thyroid hormone receptor beta-1 | Potency | 15.8 | nM | None |