1.02010-04-08 22:09:14 UTC2020-02-24 19:11:00 UTCFDB010653CajaninIsolated from Cajanus cajan (pigeon pea), Canavalia ensiformis (jack bean). Cajanin is found in pigeon pea, coffee and coffee products, and pulses.2',4',5-Trihydroxy-7-methoxyisoflavoneCajaninCajininC16H12O6300.2629300.06338811632884-36-9COC1=CC(O)=C2C(=O)C(=COC2=C1)C1=C(O)C=C(O)C=C1InChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-11(16(15)20)10-3-2-8(17)4-12(10)18/h2-7,17-19H,1H3ALFNTRJPGFNJQV-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C7 atom of the isoflavone backbone.7-O-methylisoflavonesOrganic compoundsPhenylpropanoids and polyketidesIsoflavonoidsO-methylated isoflavonoidsAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsAlkyl aryl ethersAnisolesBenzene and substituted derivativesChromonesHeteroaromatic compoundsHydrocarbon derivativesHydroxyisoflavonoidsIsoflavonesOrganic oxidesOxacyclic compoundsPyranones and derivativesResorcinolsVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid7-o-methylisoflavoneAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranChromoneEtherHeteroaromatic compoundHydrocarbon derivativeHydroxyisoflavonoidIsoflavoneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPyranPyranoneResorcinolVinylogous acidIsoflavonoidsIsoflavonoidsisoflavonesmethoxyisoflavonemelting_pointMp 208-210°average_mass300.2629mono_mass300.063388116smilesCOC1=CC(O)=C2C(=O)C(=COC2=C1)C1=C(O)C=C(O)C=C1formulaC16H12O6inchiInChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-11(16(15)20)10-3-2-8(17)4-12(10)18/h2-7,17-19H,1H3inchikeyALFNTRJPGFNJQV-UHFFFAOYSA-NSpecdb::CMs26567Specdb::CMs42923Specdb::CMs171018Specdb::MsMs59520Specdb::MsMs59521Specdb::MsMs59522Specdb::MsMs115671Specdb::MsMs115672Specdb::MsMs115673Specdb::MsMs2810063Specdb::MsMs2810064Specdb::MsMs2810065Specdb::MsMs2899560Specdb::MsMs2899561Specdb::MsMs2899562HMDB32696#<Reference:0x0000555675b809e0>Arabica coffeeType 1specificCoffea arabica13443Coffee and coffee productsUnknowngenericPigeon peaType 1specificCajanus cajan3821PulsesUnknowngenericRobusta coffeeType 1specificCoffea canephora49390fungicide940A substance used to destroy fungal pests.pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.phytoalexin1223A toxin made by a plant that acts against an organism attacking it.