1.0 2010-04-08 22:13:25 UTC 2019-11-26 03:15:30 UTC FDB017977 Hericerin Isolated from the edible lions mane mushroom (Hericium erinaceum). Hericerin is found in mushrooms. 6-(3,7-Dimethyl-2,6-octadienyl)-2,3-dihydro-7-hydroxy-5-methoxy-2-(2-phenylethyl)-1H-isoindol-1-one, 9CI C27H33NO3 419.5558 419.246043927 6-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-7-hydroxy-5-methoxy-2-(2-phenylethyl)-2,3-dihydro-1H-isoindol-1-one 6-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-7-hydroxy-5-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one 140381-53-9 COC1=C(C\C=C(\C)CCC=C(C)C)C(O)=C2C(=O)N(CCC3=CC=CC=C3)CC2=C1 InChI=1S/C27H33NO3/c1-19(2)9-8-10-20(3)13-14-23-24(31-4)17-22-18-28(27(30)25(22)26(23)29)16-15-21-11-6-5-7-12-21/h5-7,9,11-13,17,29H,8,10,14-16,18H2,1-4H3/b20-13- ULSKNVPXNYBAQZ-MOSHPQCFSA-N belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. Isoindolones Organic compounds Organoheterocyclic compounds Isoindoles and derivatives Isoindolines Aromatic heteropolycyclic compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aromatic monoterpenoids Azacyclic compounds Benzene and substituted derivatives Bicyclic monoterpenoids Hydrocarbon derivatives Isoindoles Lactams Organic oxides Organonitrogen compounds Organopnictogen compounds Tertiary carboxylic acid amides Vinylogous acids 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aromatic monoterpenoid Azacycle Benzenoid Bicyclic monoterpenoid Carboxamide group Carboxylic acid derivative Ether Hydrocarbon derivative Isoindole Isoindolone Lactam Monocyclic benzene moiety Monoterpenoid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Tertiary carboxylic acid amide Vinylogous acid logp 6.30 ALOGPS logs -5.45 ALOGPS solubility 1.50e-03 g/l ALOGPS melting_point Mp 138-140° logp 6.61 ChemAxon pka_strongest_acidic 7.8 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 6-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-7-hydroxy-5-methoxy-2-(2-phenylethyl)-2,3-dihydro-1H-isoindol-1-one ChemAxon average_mass 419.5558 ChemAxon mono_mass 419.246043927 ChemAxon smiles COC1=C(C\C=C(\C)CCC=C(C)C)C(O)=C2C(=O)N(CCC3=CC=CC=C3)CC2=C1 ChemAxon formula C27H33NO3 ChemAxon inchi InChI=1S/C27H33NO3/c1-19(2)9-8-10-20(3)13-14-23-24(31-4)17-22-18-28(27(30)25(22)26(23)29)16-15-21-11-6-5-7-12-21/h5-7,9,11-13,17,29H,8,10,14-16,18H2,1-4H3/b20-13- ChemAxon inchikey ULSKNVPXNYBAQZ-MOSHPQCFSA-N ChemAxon polar_surface_area 49.77 ChemAxon refractivity 129.34 ChemAxon polarizability 50.05 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15057 Specdb::CMs 45927 Specdb::CMs 158259 Specdb::MsMs 77685 Specdb::MsMs 77686 Specdb::MsMs 77687 Specdb::MsMs 137868 Specdb::MsMs 137869 Specdb::MsMs 137870 Specdb::MsMs 2357154 Specdb::MsMs 2357155 Specdb::MsMs 2357156 Specdb::MsMs 2608440 Specdb::MsMs 2608441 Specdb::MsMs 2608442 HMDB38587 #<Reference:0x000055ce31c2a240> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322