1.0 2010-04-08 22:15:06 UTC 2019-11-26 03:19:07 UTC FDB020552 2,3-Dehydrosalvipisone Constituent of Salvia sclarea (clary sage). 2,3-Dehydrosalvipisone is found in tea, alcoholic beverages, and herbs and spices. 2,3-Dehydrosalvipisone C20H22O3 310.3869 310.15689457 3-hydroxy-6-methyl-5-[(2Z)-4-methylpenta-2,4-dien-1-yl]-2-(propan-2-yl)-1,4-dihydronaphthalene-1,4-dione 3-hydroxy-2-isopropyl-6-methyl-5-[(2Z)-4-methylpenta-2,4-dien-1-yl]naphthalene-1,4-dione CC(C)C1=C(O)C(=O)C2=C(C=CC(C)=C2C\C=C/C(C)=C)C1=O InChI=1S/C20H22O3/c1-11(2)7-6-8-14-13(5)9-10-15-17(14)20(23)19(22)16(12(3)4)18(15)21/h6-7,9-10,12,22H,1,8H2,2-5H3/b7-6- DRAMPMNRCNQDOE-SREVYHEPSA-N belongs to the class of organic compounds known as naphthoquinones. Naphthoquinones are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone). Naphthoquinones Organic compounds Benzenoids Naphthalenes Naphthoquinones Aromatic homopolycyclic compounds Aryl ketones Enols Hydrocarbon derivatives Organic oxides Quinones Vinylogous acids Aromatic homopolycyclic compound Aryl ketone Enol Hydrocarbon derivative Ketone Naphthoquinone Organic oxide Organic oxygen compound Organooxygen compound Quinone Vinylogous acid logp 3.46 ALOGPS logs -4.97 ALOGPS solubility 3.33e-03 g/l ALOGPS logp 4.49 ChemAxon pka_strongest_acidic 8.46 ChemAxon pka_strongest_basic -4 ChemAxon iupac 3-hydroxy-6-methyl-5-[(2Z)-4-methylpenta-2,4-dien-1-yl]-2-(propan-2-yl)-1,4-dihydronaphthalene-1,4-dione ChemAxon average_mass 310.3869 ChemAxon mono_mass 310.15689457 ChemAxon smiles CC(C)C1=C(O)C(=O)C2=C(C=CC(C)=C2C\C=C/C(C)=C)C1=O ChemAxon formula C20H22O3 ChemAxon inchi InChI=1S/C20H22O3/c1-11(2)7-6-8-14-13(5)9-10-15-17(14)20(23)19(22)16(12(3)4)18(15)21/h6-7,9-10,12,22H,1,8H2,2-5H3/b7-6- ChemAxon inchikey DRAMPMNRCNQDOE-SREVYHEPSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 95.59 ChemAxon polarizability 35.38 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 289870 Specdb::MsMs 289871 Specdb::MsMs 289872 Specdb::MsMs 329425 Specdb::MsMs 329426 Specdb::MsMs 329427 Specdb::MsMs 2383892 Specdb::MsMs 2383893 Specdb::MsMs 2383894 Specdb::MsMs 2581665 Specdb::MsMs 2581666 Specdb::MsMs 2581667 Specdb::CMs 10839 Specdb::CMs 46939 Specdb::CMs 162221 HMDB40742 #<Reference:0x00007f093c0d1bb8> Alcoholic beverages Unknown generic Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442