Molecule

(1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene

Chemical Information

Molecular Image
InChI InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1
SMILES COC1=C2C=C(C=C1)C[C@H]1C3=C(OC4=C(OC)C=C5CCN(C)[C@@H](CC6=CC=C(C=C6)O2)C5=C4)C(OC)=C(OC)C=C3CCN1C
InChI Key WVTKBKWTSCPRNU-KYJUHHDHSA-N
Exact Mass 622.700 g/mol

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol3893
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    DB14066 drugbank
    CHEBI:49 chebi
    CHEMBL176045 chembl
    20119 surechembl
    29376018 surechembl
    30208277 surechembl
    30581217 surechembl
    73078 pubchem
    29EX23D5AJ fdasrs
    VS4W77H3SD fdasrs
    PD001239 probes_and_drugs
    TETRIN CCDC
    190283 brenda
    25834 brenda
    DTXSID10178062 comptox
    DTXSID70881383 comptox
    Molport-000-763-034 molport
    50478473 bindingdb
    The data in this table is sourced from UniChem at EBI.