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CHEBI:758112 - apomine

Default Structure
ChEBI IDCHEBI:758112
ChEBI Nameapomine
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC28H52O7P2
Net Charge0
Average Mass562.665
Monoisotopic Mass562.31883
SMILESCC(C)OP(=O)(OC(C)C)C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C28H52O7P2/c1-18(2)32-36(30,33-19(3)4)25(37(31,34-20(5)6)35-21(7)8)17-22-15-23(27(9,10)11)26(29)24(16-22)28(12,13)14/h15-16,18-21,25,29H,17H2,1-14H3
InChIKeyYLJOVCWVJCDPLN-UHFFFAOYSA-N
Roles Classification
Applications:
bone density conservation agent  An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
apomine (CHEBI:758112) has role antineoplastic agent (CHEBI:35610)
apomine (CHEBI:758112) has role bone density conservation agent (CHEBI:50646)
apomine (CHEBI:758112) is a 1,1-bis(phosphonic acid) (CHEBI:77383)
Synonyms  Source
ApomineChEMBL
SR-45023AChEMBL
SR 9223IChEMBL
SR-9223IChEMBL
Citations