1.0 2010-04-08 22:13:46 UTC 2019-11-26 03:16:17 UTC FDB018532 Necatorine Alkaloid from the mushroom Lactarius necator. Necatorine is found in mushrooms. 11-Hydroxy-2H-benzo(c)pyrano(2,3-H)cinnolin-2-one 11-Hydroxy-2H-benzo[c]pyrano[2,3-h]cinnolin-2-one, 9CI 2H-Benzo(c)pyrano(2,3-h)cinnolin-2-one, 11-hydroxy- Necatorin C15H8N2O3 264.2356 264.053492132 9-hydroxy-6-oxa-17,18-diazatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,8,11,13,15,17-octaen-5-one 9-hydroxy-6-oxa-17,18-diazatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,8,11,13,15,17-octaen-5-one 89915-35-5 OC1=CC2=C(C=CC(=O)O2)C2=C1C1=CC=CC=C1N=N2 InChI=1S/C15H8N2O3/c18-11-7-12-9(5-6-13(19)20-12)15-14(11)8-3-1-2-4-10(8)16-17-15/h1-7,18H WNQBVKOXDIYRFH-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Coumarins and derivatives Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Azacyclic compounds Cinnolines Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Pyranones and derivatives Pyridazines and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Aromatic heteropolycyclic compound Azacycle Benzenoid Benzopyran Cinnoline Coumarin Diazanaphthalene Heteroaromatic compound Hydrocarbon derivative Lactone Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyran Pyranone Pyridazine logp 2.34 ALOGPS logs -3.33 ALOGPS solubility 1.23e-01 g/l ALOGPS melting_point Mp 220-225° logp 2.03 ChemAxon pka_strongest_acidic 6.02 ChemAxon pka_strongest_basic 1.28 ChemAxon iupac 9-hydroxy-6-oxa-17,18-diazatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,8,11,13,15,17-octaen-5-one ChemAxon average_mass 264.2356 ChemAxon mono_mass 264.053492132 ChemAxon smiles OC1=CC2=C(C=CC(=O)O2)C2=C1C1=CC=CC=C1N=N2 ChemAxon formula C15H8N2O3 ChemAxon inchi InChI=1S/C15H8N2O3/c18-11-7-12-9(5-6-13(19)20-12)15-14(11)8-3-1-2-4-10(8)16-17-15/h1-7,18H ChemAxon inchikey WNQBVKOXDIYRFH-UHFFFAOYSA-N ChemAxon polar_surface_area 72.31 ChemAxon refractivity 73.39 ChemAxon polarizability 25.9 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11720 Specdb::CMs 46221 Specdb::CMs 130852 Specdb::CMs 138586 Specdb::MsMs 57483 Specdb::MsMs 57484 Specdb::MsMs 57485 Specdb::MsMs 113163 Specdb::MsMs 113164 Specdb::MsMs 113165 Specdb::MsMs 2666356 Specdb::MsMs 2666357 Specdb::MsMs 2666358 Specdb::MsMs 3013022 Specdb::MsMs 3013023 Specdb::MsMs 3013024 HMDB39035 #<Reference:0x000055ce3218f168> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322