1.0 2010-04-08 22:12:29 UTC 2019-11-26 03:13:25 UTC FDB016536 2''-p-Coumaroylvitexin Isolated from fenugreek seeds Trigonella foenum-graecum. 2''-p-Coumaroylvitexin is found in herbs and spices and fenugreek. 2''-O-p-Coumaroylvitexin 2''-p-Coumaroylvitexin Vitexin 2''-O-p-coumarate C30H26O12 578.5202 578.142426296 2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 59282-55-2 OCC1OC(C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1 InChI=1S/C30H26O12/c31-13-22-26(38)27(39)30(42-23(37)10-3-14-1-6-16(32)7-2-14)29(41-22)25-19(35)11-18(34)24-20(36)12-21(40-28(24)25)15-4-8-17(33)9-5-15/h1-12,22,26-27,29-35,38-39H,13H2/b10-3+ FJGOEBQRHWKKJH-XCVCLJGOSA-N belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group. Alpha-hydrogen aldehydes Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Dialkylthioethers Hydrocarbon derivatives Organic oxides Sulfenyl compounds Aliphatic acyclic compound Alpha-hydrogen aldehyde Dialkylthioether Hydrocarbon derivative Organic oxide Organosulfur compound Sulfenyl compound Thioether logp 2.87 ALOGPS logs -3.42 ALOGPS solubility 2.22e-01 g/l ALOGPS melting_point Mp 195-198° logp 2.68 ChemAxon pka_strongest_acidic 6.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 578.5202 ChemAxon mono_mass 578.142426296 ChemAxon smiles OCC1OC(C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1 ChemAxon formula C30H26O12 ChemAxon inchi InChI=1S/C30H26O12/c31-13-22-26(38)27(39)30(42-23(37)10-3-14-1-6-16(32)7-2-14)29(41-22)25-19(35)11-18(34)24-20(36)12-21(40-28(24)25)15-4-8-17(33)9-5-15/h1-12,22,26-27,29-35,38-39H,13H2/b10-3+ ChemAxon inchikey FJGOEBQRHWKKJH-XCVCLJGOSA-N ChemAxon polar_surface_area 203.44 ChemAxon refractivity 147.58 ChemAxon polarizability 56.46 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11571 Specdb::CMs 45406 Specdb::CMs 282488 Specdb::CMs 383520 Specdb::CMs 383521 Specdb::CMs 383522 Specdb::CMs 383523 Specdb::CMs 383524 Specdb::CMs 383525 Specdb::CMs 383526 Specdb::CMs 383527 Specdb::CMs 383528 Specdb::CMs 383529 Specdb::CMs 383530 Specdb::CMs 383531 Specdb::CMs 383532 Specdb::CMs 383533 Specdb::CMs 383534 Specdb::CMs 383535 Specdb::CMs 383536 Specdb::CMs 383537 Specdb::CMs 383538 Specdb::CMs 383539 Specdb::CMs 383540 Specdb::CMs 383541 Specdb::MsMs 77667 Specdb::MsMs 77668 Specdb::MsMs 77669 Specdb::MsMs 137844 Specdb::MsMs 137845 Specdb::MsMs 137846 Specdb::MsMs 2398560 Specdb::MsMs 2398561 Specdb::MsMs 2398562 Specdb::MsMs 2537174 Specdb::MsMs 2537175 Specdb::MsMs 2537176 HMDB37471 #<Reference:0x000055ce30bf4268> Fenugreek Type 1 specific Trigonella foenum-graecum 78534 Herbs and Spices Unknown generic