1.0 2010-04-08 22:13:27 UTC 2019-11-26 03:15:35 UTC FDB018022 Hydroxymethyl indol-3-yl ketone Alkaloid from liquid cultures of the fungus Lactarius deliciosus. Hydroxymethyl indol-3-yl ketone is found in mushrooms. 2-Hydroxy-1-(1H-indol-3-yl)-ethanone 2-hydroxy-1-(1H-indol-3-yl)ethanone 2-Hydroxy-1-(1H-indol-3-yl)ethanone, 9CI 3-Glyceroindole Ethanone, 2-hydroxy-1-(1H-indol-3-yl)- Hydroxymethyl indol-3-yl ketone, 8CI INDOLE-3-KETOL C10H9NO2 175.184 175.063328537 2-hydroxy-1-(1H-indol-3-yl)ethan-1-one 2-hydroxy-1-(1H-indol-3-yl)ethanone 2400-51-3 OCC(=O)C1=CNC2=CC=CC=C12 InChI=1S/C10H9NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-5,11-12H,6H2 IBLZDDPFMAFWKP-UHFFFAOYSA-N belongs to the class of organic compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. Indoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Indoles Aromatic heteropolycyclic compounds Alpha-hydroxy ketones Aryl alkyl ketones Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols Substituted pyrroles Vinylogous amides Alcohol Alpha-hydroxy ketone Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Indole Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Pyrrole Substituted pyrrole Vinylogous amide a small molecule logp 1.23 ALOGPS logs -1.75 ALOGPS solubility 3.11e+00 g/l ALOGPS melting_point Mp 173-174° logp 0.81 ChemAxon pka_strongest_acidic 12.97 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 2-hydroxy-1-(1H-indol-3-yl)ethan-1-one ChemAxon average_mass 175.184 ChemAxon mono_mass 175.063328537 ChemAxon smiles OCC(=O)C1=CNC2=CC=CC=C12 ChemAxon formula C10H9NO2 ChemAxon inchi InChI=1S/C10H9NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-5,11-12H,6H2 ChemAxon inchikey IBLZDDPFMAFWKP-UHFFFAOYSA-N ChemAxon polar_surface_area 53.09 ChemAxon refractivity 49.25 ChemAxon polarizability 18.02 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7990 Specdb::MsIr 7991 Specdb::MsIr 7992 Specdb::CMs 14258 Specdb::CMs 45947 Specdb::CMs 131316 Specdb::CMs 139050 Specdb::MsMs 99171 Specdb::MsMs 99172 Specdb::MsMs 99173 Specdb::MsMs 164271 Specdb::MsMs 164272 Specdb::MsMs 164273 Specdb::MsMs 2724113 Specdb::MsMs 2724114 Specdb::MsMs 2724115 Specdb::MsMs 2954943 Specdb::MsMs 2954944 Specdb::MsMs 2954945 Specdb::NmrOneD 27722 Specdb::NmrOneD 27723 Specdb::NmrOneD 27724 Specdb::NmrOneD 27725 Specdb::NmrOneD 27726 Specdb::NmrOneD 27727 Specdb::NmrOneD 27728 Specdb::NmrOneD 27729 Specdb::NmrOneD 27730 Specdb::NmrOneD 27731 Specdb::NmrOneD 27732 Specdb::NmrOneD 27733 Specdb::NmrOneD 27734 Specdb::NmrOneD 27735 Specdb::NmrOneD 27736 Specdb::NmrOneD 27737 Specdb::NmrOneD 27738 Specdb::NmrOneD 27739 Specdb::NmrOneD 27740 Specdb::NmrOneD 27741 HMDB38628 #<Reference:0x000055ce335bd1a8> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322