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6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran
A member of the class of chromenes that is 2H-chromene substituted by geminal methyl groups at position 2, methoxy groups at positions 5 and 7 and a (3R)-3-methoxybutanoyl group at position 6. Isolated from the leaves of Mallotus apelta, it exhibits antineoplastic activity.


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05. Industrial Uses: pharmaceutical [CHEBI:52217] > drug [CHEBI:23888] > antineoplastic agent [CHEBI:35610] > 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661]
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more general categories    information about this item
03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 metabolite [CHEBI:25212] (2692) 
 secondary metabolite [CHEBI:26619] (2225) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antineoplastic agent [CHEBI:35610] (760) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 ether [CHEBI:25698] (876) 
 aromatic ether [CHEBI:35618] (353) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 oxacycle [CHEBI:38104] (2002) 
 benzopyran [CHEBI:22727] (349) 
 1-benzopyran [CHEBI:38443] (328) 
 chromenes [CHEBI:23232] (118) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 ether [CHEBI:25698] (876) 
 aromatic ether [CHEBI:35618] (353) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 oxacycle [CHEBI:38104] (2002) 
 benzopyran [CHEBI:22727] (349) 
 1-benzopyran [CHEBI:38443] (328) 
 chromenes [CHEBI:23232] (118) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 oxacycle [CHEBI:38104] (2002) 
 benzopyran [CHEBI:22727] (349) 
 1-benzopyran [CHEBI:38443] (328) 
 chromenes [CHEBI:23232] (118) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 benzopyran [CHEBI:22727] (349) 
 1-benzopyran [CHEBI:38443] (328) 
 chromenes [CHEBI:23232] (118) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 ether [CHEBI:25698] (876) 
 aromatic ether [CHEBI:35618] (353) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 oxacycle [CHEBI:38104] (2002) 
 benzopyran [CHEBI:22727] (349) 
 1-benzopyran [CHEBI:38443] (328) 
 chromenes [CHEBI:23232] (118) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 oxacycle [CHEBI:38104] (2002) 
 benzopyran [CHEBI:22727] (349) 
 1-benzopyran [CHEBI:38443] (328) 
 chromenes [CHEBI:23232] (118) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 benzopyran [CHEBI:22727] (349) 
 1-benzopyran [CHEBI:38443] (328) 
 chromenes [CHEBI:23232] (118) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 organic aromatic compound [CHEBI:33659] (3593) 
 aromatic ether [CHEBI:35618] (353) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 cyclic compound [CHEBI:33595] (7817) 
 polycyclic compound [CHEBI:33635] (4078) 
 heteropolycyclic compound [CHEBI:33671] (2613) 
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 benzopyran [CHEBI:22727] (349) 
 1-benzopyran [CHEBI:38443] (328) 
 chromenes [CHEBI:23232] (118) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 aromatic compound [CHEBI:33655] (3799) 
 organic aromatic compound [CHEBI:33659] (3593) 
 aromatic ether [CHEBI:35618] (353) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 organic cyclic compound [CHEBI:33832] (7633) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 oxacycle [CHEBI:38104] (2002) 
 benzopyran [CHEBI:22727] (349) 
 1-benzopyran [CHEBI:38443] (328) 
 chromenes [CHEBI:23232] (118) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 benzopyran [CHEBI:22727] (349) 
 1-benzopyran [CHEBI:38443] (328) 
 chromenes [CHEBI:23232] (118) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 organic aromatic compound [CHEBI:33659] (3593) 
 aromatic ether [CHEBI:35618] (353) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 heterocyclic compound [CHEBI:5686] (5275) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 oxacycle [CHEBI:38104] (2002) 
 benzopyran [CHEBI:22727] (349) 
 1-benzopyran [CHEBI:38443] (328) 
 chromenes [CHEBI:23232] (118) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 benzopyran [CHEBI:22727] (349) 
 1-benzopyran [CHEBI:38443] (328) 
 chromenes [CHEBI:23232] (118) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 heteropolycyclic compound [CHEBI:33671] (2613) 
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 benzopyran [CHEBI:22727] (349) 
 1-benzopyran [CHEBI:38443] (328) 
 chromenes [CHEBI:23232] (118) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 oxacycle [CHEBI:38104] (2002) 
 benzopyran [CHEBI:22727] (349) 
 1-benzopyran [CHEBI:38443] (328) 
 chromenes [CHEBI:23232] (118) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 benzopyran [CHEBI:22727] (349) 
 1-benzopyran [CHEBI:38443] (328) 
 chromenes [CHEBI:23232] (118) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 organic aromatic compound [CHEBI:33659] (3593) 
 aromatic ether [CHEBI:35618] (353) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66661] (1)
ChEBI Compound Accession Identifier  [CHEBI:66661]
ChEBI Compound Description  A member of the class of chromenes that is 2H-chromene substituted by geminal methyl groups at position 2, methoxy groups at positions 5 and 7 and a (3R)-3-methoxybutanoyl group at position 6. Isolated from the leaves of Mallotus apelta, it exhibits antineoplastic activity.
ChEBI Compound Identification Number  66661
ChEBI InChI Value  InChI=1S/C18H24O5/c1-11(20-4)9-13(19)16-15(21-5)10-14-12(17(16)22-6)7-8-18(2,3)23-14/h7-8,10-11H,9H2,1-6H3/t11-/m1/s1
ChEBI InChIKey Value  DPGWUIJYAVUNMD-LLVKDONJSA-N
ChEBI Compound Name  6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran
ChEBI SMILES Value  CO[C@H](C)CC(=O)c1c(OC)cc2OC(C)(C)C=Cc2c1OC
ChEBI Substance ID  160710290
ChEBI URL  ChEBI:66661
ChemSpider ID  28639020
Ontomatica Chemical Accession Key (OnChAKey)  DPGWUIJYAVUNMD_LLVKDONJSA_N_000_000000
PubChem Compound ID  70697880