1.0 2010-04-08 22:11:59 UTC 2020-02-24 19:11:00 UTC FDB015675 Lettucenin A Phytoalexin from Lactuca sativa variety capitata (head lettuce). Lettucenin A is found in lettuce and romaine lettuce. Lettucenin A C15H12O3 240.254 240.07864425 6-methyl-9-methylidene-2-oxo-2H,7H,8H,9H-azuleno[4,5-b]furan-3-carbaldehyde 6-methyl-9-methylidene-2-oxo-7H,8H-azuleno[4,5-b]furan-3-carbaldehyde 97915-46-3 CC1=C2CCC(=C)C2=C2OC(=O)C(C=O)=C2C=C1 InChI=1S/C15H12O3/c1-8-3-6-11-12(7-16)15(17)18-14(11)13-9(2)4-5-10(8)13/h3,6-7H,2,4-5H2,1H3 PATCUDSVUMFCMB-UHFFFAOYSA-N belongs to the class of organic compounds known as cycloheptafurans. These are organic heterocyclic compounds containing a cycloheptane derivative fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Cycloheptafurans Organic compounds Organoheterocyclic compounds Cycloheptafurans Aromatic heteropolycyclic compounds Aryl-aldehydes Furans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Aldehyde Aromatic heteropolycyclic compound Aryl-aldehyde Cycloheptafuran Furan Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 2.60 ALOGPS logs -2.91 ALOGPS solubility 2.99e-01 g/l ALOGPS melting_point Mp 175-176° logp 1.21 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 6-methyl-9-methylidene-2-oxo-2H,7H,8H,9H-azuleno[4,5-b]furan-3-carbaldehyde ChemAxon average_mass 240.254 ChemAxon mono_mass 240.07864425 ChemAxon smiles CC1=C2CCC(=C)C2=C2OC(=O)C(C=O)=C2C=C1 ChemAxon formula C15H12O3 ChemAxon inchi InChI=1S/C15H12O3/c1-8-3-6-11-12(7-16)15(17)18-14(11)13-9(2)4-5-10(8)13/h3,6-7H,2,4-5H2,1H3 ChemAxon inchikey PATCUDSVUMFCMB-UHFFFAOYSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 70.72 ChemAxon polarizability 25.48 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17805 Specdb::CMs 137708 Specdb::CMs 145442 Specdb::MsMs 88902 Specdb::MsMs 88903 Specdb::MsMs 88904 Specdb::MsMs 151719 Specdb::MsMs 151720 Specdb::MsMs 151721 Specdb::MsMs 2263129 Specdb::MsMs 2263130 Specdb::MsMs 2263131 Specdb::MsMs 3079005 Specdb::MsMs 3079006 Specdb::MsMs 3079007 HMDB36738 #<Reference:0x000055ce31dec560> Lettuce Type 1 specific Lactuca sativa 4236 Romaine lettuce Type 1 specific Lactuca sativa L. var. longifolia