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6-[1'-oxo-3'(R)-hydroxy-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-hydroxybutanoyl group at position 6. Isolated from the leaves of Mallotus apelta, it exhibits antineoplastic activity.

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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)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (1)

05. Industrial Uses

			pharmaceutical [CHEBI:52217] (1978)

				drug [CHEBI:23888] (1930)

					antineoplastic agent [CHEBI:35610] (760)

6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (1)

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)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (1)

carbonyl compound [CHEBI:36586] (5928)

ketone [CHEBI:17087] (1288)

beta-hydroxy ketone [CHEBI:55380] (18)

6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (1)

oxacycle [CHEBI:38104] (2002)

benzopyran [CHEBI:22727] (349)

1-benzopyran [CHEBI:38443] (328)

chromenes [CHEBI:23232] (118)

6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (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)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (1)

carbonyl compound [CHEBI:36586] (5928)

ketone [CHEBI:17087] (1288)

beta-hydroxy ketone [CHEBI:55380] (18)

6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (1)

oxacycle [CHEBI:38104] (2002)

benzopyran [CHEBI:22727] (349)

1-benzopyran [CHEBI:38443] (328)

chromenes [CHEBI:23232] (118)

6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (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)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (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)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (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)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (1)

carbonyl compound [CHEBI:36586] (5928)

ketone [CHEBI:17087] (1288)

beta-hydroxy ketone [CHEBI:55380] (18)

6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (1)

oxacycle [CHEBI:38104] (2002)

benzopyran [CHEBI:22727] (349)

1-benzopyran [CHEBI:38443] (328)

chromenes [CHEBI:23232] (118)

6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (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)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (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)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (1)

organic aromatic compound [CHEBI:33659] (3593)

aromatic ether [CHEBI:35618] (353)

6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (1)

									organic oxo compound [CHEBI:36587] (5932)

carbonyl compound [CHEBI:36586] (5928)

ketone [CHEBI:17087] (1288)

beta-hydroxy ketone [CHEBI:55380] (18)

6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (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)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (1)

							aromatic compound [CHEBI:33655] (3799)

									organic aromatic compound [CHEBI:33659] (3593)

aromatic ether [CHEBI:35618] (353)

6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (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)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (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)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (1)

									organic aromatic compound [CHEBI:33659] (3593)

aromatic ether [CHEBI:35618] (353)

6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (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)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (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)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (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)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (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)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (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)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (1)

								organic aromatic compound [CHEBI:33659] (3593)

									aromatic ether [CHEBI:35618] (353)

6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (1)

						organic oxo compound [CHEBI:36587] (5932)

							carbonyl compound [CHEBI:36586] (5928)

								ketone [CHEBI:17087] (1288)

									beta-hydroxy ketone [CHEBI:55380] (18)

6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran [CHEBI:66660] (1)

ChEBI Compound Accession Identifier:

[CHEBI:66660]

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-hydroxybutanoyl group at position 6. Isolated from the leaves of Mallotus apelta, it exhibits antineoplastic activity.

ChEBI Compound Identification Number:

66660

ChEBI InChI Value:

InChI=1S/C17H22O5/c1-10(18)8-12(19)15-14(20-4)9-13-11(16(15)21-5)6-7-17(2,3)22-13/h6-7,9-10,18H,8H2,1-5H3/t10-/m1/s1

ChEBI InChIKey Value:

VMUZHLRZTBFODD-SNVBAGLBSA-N

ChEBI Compound Name:

6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran

ChEBI SMILES Value:

COc1cc2OC(C)(C)C=Cc2c(OC)c1C(=O)C[C@@H](C)O

ChEBI Substance ID:

160710346

ChEBI URL:

ChemSpider ID:

28639019

Ontomatica Chemical Accession Key (OnChAKey):

VMUZHLRZTBFODD_SNVBAGLBSA_N_000_000000

PubChem Compound ID:

70697888