Molecule

(1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione

Chemical Information

Molecular Image
InChI InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1
SMILES C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChI Key GBOGMAARMMDZGR-TYHYBEHESA-N

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol4109
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    DB16766 drugbank
    CHEBI:23527 chebi
    LMPK11000002 lipidmaps
    5RH rcsb_pdb
    CHEMBL411729 chembl
    20063279 surechembl
    5311281 pubchem
    3CHI920QS7 fdasrs
    5RH pdbe
    PD003482 probes_and_drugs
    24441 brenda
    DTXSID30893482 comptox
    Molport-003-665-589 molport
    50478403 bindingdb
    The data in this table is sourced from UniChem at EBI.