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CHEBI:146005 - dinapinone E

ChEBI IDCHEBI:146005
ChEBI Namedinapinone E
Stars
DefinitionA binaphthopyran resulting from the oxidative coupling at position 8 of two molecules of monapinone E.
Last Modified9 March 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC46H58O16
Net Charge0
Average Mass866.954
Monoisotopic Mass866.37249
SMILESCOc1cc2cc3c(c(O)c2c(O)c1-c1c(OC)cc2cc4c(c(O)c2c1O)C(=O)O[C@H](C[C@H](O)C[C@H](O)CCCCCO)C4)C(=O)O[C@H](C[C@H](O)C[C@H](O)CCCCCO)C3
InChIInChI=1S/C46H58O16/c1-59-33-17-25-13-23-15-31(21-29(51)19-27(49)9-5-3-7-11-47)61-45(57)37(23)41(53)35(25)43(55)39(33)40-34(60-2)18-26-14-24-16-32(22-30(52)20-28(50)10-6-4-8-12-48)62-46(58)38(24)42(54)36(26)44(40)56/h13-14,17-18,27-32,47-56H,3-12,15-16,19-22H2,1-2H3/t27-,28-,29-,30-,31+,32+/m1/s1
InChIKeyCWJCSQVZVOXGSH-GJLCVQKQSA-N
ChEBI Ontology
Outgoing Relation(s)
dinapinone E (CHEBI:146005) has functional parent monapinone E (CHEBI:146004)
dinapinone E (CHEBI:146005) is a binaphthopyran (CHEBI:146014)
dinapinone E (CHEBI:146005) is a naphtho-α-pyrone (CHEBI:146280)
IUPAC Name 
(3S,3'S)-9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-3,3'-bis[(2R,4R)-2,4,9-trihydroxynonyl]-3,3',4,4'-tetrahydro-1H,1'H-[8,8'-binaphtho[2,3-c]pyran]-1,1'-dione
UniProt Name  Source
dinapinone EUniProt
Citations