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CHEBI:232860 - F-14512

ChEBI IDCHEBI:232860
ChEBI NameF-14512
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC33H47N5O8
Net Charge0
Average Mass641.766
Monoisotopic Mass641.34246
SMILES[H][C@@]1(c2cc(OC)c(O)c(OC)c2)c2cc3c(cc2[C@@]([H])(/N=C(\O)CNCCCNCCCCNCCCN)[C@@]2([H])COC(=O)[C@]12[H])OCO3
InChIInChI=1S/C33H47N5O8/c1-42-26-13-20(14-27(43-2)32(26)40)29-21-15-24-25(46-19-45-24)16-22(21)31(23-18-44-33(41)30(23)29)38-28(39)17-37-12-6-11-36-9-4-3-8-35-10-5-7-34/h13-16,23,29-31,35-37,40H,3-12,17-19,34H2,1-2H3,(H,38,39)/t23-,29+,30-,31+/m0/s1
InChIKeyNUZMJDHDPVKFJN-TYDXHICZSA-N
Roles Classification
Biological Role:
topoisomerase II inhibitor  A topoisomerase inhibitor that inhibits DNA topoisomerase II.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
F-14512 (CHEBI:232860) has role antineoplastic agent (CHEBI:35610)
F-14512 (CHEBI:232860) has role topoisomerase II inhibitor (CHEBI:156203)
F-14512 (CHEBI:232860) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
N-[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetamide
Registry NumbersSources
CAS:866874-63-7SUBMITTER
Citations