1.0 2010-04-08 22:04:41 UTC 2019-11-26 02:55:18 UTC FDB000740 Lycopersiconol Isolated from Lycopersicon esculentum (tomato). Lycopersiconol is found in garden tomato. Lycopersiconol C21H34O3 334.4929 334.250794954 1-{5,13-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}ethan-1-one 1-{5,13-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}ethanone 20745-29-3 CC(=O)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CCC12C InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3 FGDFFHLIMDMCJI-UHFFFAOYSA-N belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety. Gluco/mineralocorticoids, progestogins and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids Aliphatic homopolycyclic compounds 16-hydroxysteroids 20-oxosteroids 3-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Ketones Organic oxides Secondary alcohols 16-hydroxysteroid 20-oxosteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Progestogin-skeleton Secondary alcohol logp 3.18 ALOGPS logs -3.94 ALOGPS solubility 3.88e-02 g/l ALOGPS melting_point Mp 255-258° (dec.)(202-204°) logp 2.76 ChemAxon pka_strongest_acidic 14.75 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 1-{5,13-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}ethan-1-one ChemAxon average_mass 334.4929 ChemAxon mono_mass 334.250794954 ChemAxon smiles CC(=O)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CCC12C ChemAxon formula C21H34O3 ChemAxon inchi InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3 ChemAxon inchikey FGDFFHLIMDMCJI-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 94.42 ChemAxon polarizability 39.41 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15540 Specdb::CMs 41462 Specdb::CMs 172611 Specdb::MsMs 9548 Specdb::MsMs 9549 Specdb::MsMs 9550 Specdb::MsMs 10340 Specdb::MsMs 10341 Specdb::MsMs 10342 Specdb::MsMs 16220 Specdb::MsMs 16221 Specdb::MsMs 16222 Specdb::MsMs 17012 Specdb::MsMs 17013 Specdb::MsMs 17014 Specdb::MsMs 2379285 Specdb::MsMs 2379286 Specdb::MsMs 2379287 Specdb::MsMs 2556594 Specdb::MsMs 2556595 Specdb::MsMs 2556596 HMDB29583 #<Reference:0x000055ce32087c20> Garden tomato Type 1 specific Solanum lycopersicum 4081