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CHEBI:146004 - monapinone E

ChEBI IDCHEBI:146004
ChEBI Namemonapinone E
Stars
DefinitionA naphthopyran that is 3,4-dihydronaphtho[2,3-c]pyran-1-one which is substituted by a (2R,4R)-2,4,9-trihydroxynonyl group at position 3 and a methoxy group at position 7. Published in Acta Pharm. Sin. B, 2013, 3, 163-166. See also J. Antibiot., 2011, 64, 503-508.
Last Modified9 March 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC23H30O8
Net Charge0
Average Mass434.485
Monoisotopic Mass434.19407
SMILESCOc1cc(O)c2c(O)c3c(cc2c1)C[C@@H](C[C@H](O)C[C@H](O)CCCCCO)OC3=O
InChIInChI=1S/C23H30O8/c1-30-17-8-13-7-14-9-18(11-16(26)10-15(25)5-3-2-4-6-24)31-23(29)21(14)22(28)20(13)19(27)12-17/h7-8,12,15-16,18,24-28H,2-6,9-11H2,1H3/t15-,16-,18+/m1/s1
InChIKeyYHQGYEAIRQPZFF-NUJGCVRESA-N
ChEBI Ontology
Outgoing Relation(s)
monapinone E (CHEBI:146004) is a aromatic ether (CHEBI:35618)
monapinone E (CHEBI:146004) is a naphtho-α-pyrone (CHEBI:146280)
monapinone E (CHEBI:146004) is a phenols (CHEBI:33853)
monapinone E (CHEBI:146004) is a primary alcohol (CHEBI:15734)
monapinone E (CHEBI:146004) is a secondary alcohol (CHEBI:35681)
monapinone E (CHEBI:146004) is a δ-lactone (CHEBI:18946)
Incoming Relation(s)
dinapinone E (CHEBI:146005) has functional parent monapinone E (CHEBI:146004)
IUPAC Name 
(3S)-9,10-dihydroxy-7-methoxy-3-[(2R,4R)-2,4,9-trihydroxynonyl]-3,4-dihydro-1H-naphtho[2,3-c]pyran-1-one
UniProt Name  Source
monapinone EUniProt
Citations