1.0 2010-04-08 22:13:43 UTC 2019-11-26 03:16:09 UTC FDB018438 Avenalumin II Phytoalexin from oat (Avena sativa) infected with rust fungus Puccinia coronata. Avenalumin II is found in oat and cereals and cereal products. 2-(2-(3-Methoxyphenyl)ethenyl)-4H-3,1-benzoxazin-4-one 2-(3-Methoxycinnamoyl)-4H-3,1-benzoxazin-4-one 2-[2-(3-Methoxyphenyl)ethenyl]-4H-3,1-benzoxazin-4-one, 9CI 4h-3,1-benzoxazin-4-one, 2-(2-(3-methoxyphenyl)ethenyl)- C17H13NO3 279.29 279.089543287 2-[(Z)-2-(3-methoxyphenyl)ethenyl]-4H-3,1-benzoxazin-4-one 2-[(Z)-2-(3-methoxyphenyl)ethenyl]-3,1-benzoxazin-4-one 78214-14-9 COC1=CC=CC(\C=C/C2=NC3=CC=CC=C3C(=O)O2)=C1 InChI=1S/C17H13NO3/c1-20-13-6-4-5-12(11-13)9-10-16-18-15-8-3-2-7-14(15)17(19)21-16/h2-11H,1H3/b10-9- NODJLUIXDICTEH-KTKRTIGZSA-N belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom). Benzoxazines Organic compounds Organoheterocyclic compounds Benzoxazines Aromatic heteropolycyclic compounds Alkyl aryl ethers Anisoles Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Lactones Methoxybenzenes Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Phenoxy compounds Styrenes Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Benzoxazine Ether Heteroaromatic compound Hydrocarbon derivative Lactone Methoxybenzene Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenol ether Phenoxy compound Styrene logp 3.57 ALOGPS logs -5.12 ALOGPS solubility 2.14e-03 g/l ALOGPS logp 3.7 ChemAxon pka_strongest_basic 0.85 ChemAxon iupac 2-[(Z)-2-(3-methoxyphenyl)ethenyl]-4H-3,1-benzoxazin-4-one ChemAxon average_mass 279.29 ChemAxon mono_mass 279.089543287 ChemAxon smiles COC1=CC=CC(\C=C/C2=NC3=CC=CC=C3C(=O)O2)=C1 ChemAxon formula C17H13NO3 ChemAxon inchi InChI=1S/C17H13NO3/c1-20-13-6-4-5-12(11-13)9-10-16-18-15-8-3-2-7-14(15)17(19)21-16/h2-11H,1H3/b10-9- ChemAxon inchikey NODJLUIXDICTEH-KTKRTIGZSA-N ChemAxon polar_surface_area 47.89 ChemAxon refractivity 82.32 ChemAxon polarizability 28.79 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 51843 Specdb::MsMs 51844 Specdb::MsMs 51845 Specdb::MsMs 171291 Specdb::MsMs 171292 Specdb::MsMs 171293 Specdb::MsMs 2717781 Specdb::MsMs 2717782 Specdb::MsMs 2717783 Specdb::MsMs 2963763 Specdb::MsMs 2963764 Specdb::MsMs 2963765 Specdb::CMs 13515 Specdb::CMs 168078 HMDB38955 #<Reference:0x000055ce322a2370> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Oat Type 1 specific Avena sativa 4498