Molecule

(2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione

Chemical Information

Molecular Image
InChI InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1
SMILES C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
InChI Key DDUHZTYCFQRHIY-RBHXEPJQSA-N
Exact Mass 352.071 g/mol

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol88383
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    DB00400 drugbank
    CHEBI:27779 chebi
    LMPK13060001 lipidmaps
    CHEMBL562 chembl
    21988 surechembl
    29379397 surechembl
    441140 pubchem
    32HRV3E3D5 fdasrs
    PD002235 probes_and_drugs
    GRISFL CCDC
    HMDB0014544 hmdb
    DTXSID8020674 comptox
    NCT00117767 clinicaltrials
    NCT00863863 clinicaltrials
    NCT00864071 clinicaltrials
    NCT01518166 clinicaltrials
    NCT04318535 clinicaltrials
    Molport-001-739-410 molport
    1331 drugcentral
    31775 bindingdb
    The data in this table is sourced from UniChem at EBI.