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CHEBI:156321 - diazepinomicin

ChEBI IDCHEBI:156321
ChEBI Namediazepinomicin
Stars
DefinitionA dibenzodiazepine with a farnesyl sidechain synthesized by Micromonospora sp.. It has a potent activity against a broad spectrum of tumor cell lines.
SubmitterMartin Larralde
DownloadsMolfile
FormulaC28H34N2O4
Net Charge0
Average Mass462.590
Monoisotopic Mass462.25186
SMILES[H]/C(CC/C(C)=C(\[H])CN1C(=O)c2cccc(O)c2Nc2c(O)cc(O)cc21)=C(/C)CCC=C(C)C
InChIInChI=1S/C28H34N2O4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-30-23-16-21(31)17-25(33)27(23)29-26-22(28(30)34)12-7-13-24(26)32/h7-8,10,12-14,16-17,29,31-33H,5-6,9,11,15H2,1-4H3/b19-10+,20-14+
InChIKeySALVHVNECODMJP-GNUCVDFRSA-N
Species of MetaboliteComponentSourceComments
Micromonospora sp. RV115 (ncbitaxon:1448265) - PubMed (23170078)
Micromonospora sp. (ncbitaxon:1876) - PubMed (18722414) Strain: DJ115
Roles Classification
Chemical Roles:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
cathepsin L (EC 3.4.22.15) inhibitor  An EC 3.4.22.* (cysteine endopeptidase) inhibitor which interferes with the action of cathepsin L (EC 3.4.22.15).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
diazepinomicin (CHEBI:156321) has part 2-trans,6-trans-farnesyl group (CHEBI:36535)
diazepinomicin (CHEBI:156321) has role antineoplastic agent (CHEBI:35610)
diazepinomicin (CHEBI:156321) has role antioxidant (CHEBI:22586)
diazepinomicin (CHEBI:156321) has role cathepsin L (EC 3.4.22.15) inhibitor (CHEBI:70821)
diazepinomicin (CHEBI:156321) is a dibenzodiazepine (CHEBI:64051)
diazepinomicin (CHEBI:156321) is a farnesane sesquiterpenoid (CHEBI:36757)
diazepinomicin (CHEBI:156321) is a olefinic compound (CHEBI:78840)
diazepinomicin (CHEBI:156321) is a secondary amine (CHEBI:32863)
diazepinomicin (CHEBI:156321) is a triol (CHEBI:27136)
Synonym  Source
1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-11H-benzo[b][1,4]benzodiazepin-6-oneSUBMITTER
Manual XrefsDatabases
DB12420DrugBank
Registry NumbersSources
CAS:733035-26-2SUBMITTER
Citations