1.0 2010-04-08 22:12:24 UTC 2019-11-26 03:13:07 UTC FDB016369 Terniflorin Isolated from Pogostemon cablin (patchouli). Terniflorin is found in herbs and spices. Echinacin Terniflorin C30H26O12 578.5202 578.142426296 (3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate (3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 61237-19-2 OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C1O InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-13,24,27-33,36-38H,14H2/b10-3+ WPQRDUGBKUNFJW-XCVCLJGOSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Carbonyl compounds Chromones Cinnamic acid esters Coumaric acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Flavones Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Pyranones and derivatives Secondary alcohols Styrenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid ester Coumaric acid or derivatives Enoate ester Fatty acid ester Fatty acyl Flavone Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyflavonoid Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Pyran Pyranone Secondary alcohol Styrene Vinylogous acid logp 2.91 ALOGPS logs -3.85 ALOGPS solubility 8.14e-02 g/l ALOGPS melting_point Mp 261-263° logp 3.17 ChemAxon pka_strongest_acidic 8.27 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 578.5202 ChemAxon mono_mass 578.142426296 ChemAxon smiles OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C1O ChemAxon formula C30H26O12 ChemAxon inchi InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-13,24,27-33,36-38H,14H2/b10-3+ ChemAxon inchikey WPQRDUGBKUNFJW-XCVCLJGOSA-N ChemAxon polar_surface_area 192.44 ChemAxon refractivity 146.61 ChemAxon polarizability 56.73 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9798 Specdb::CMs 45333 Specdb::CMs 282487 Specdb::CMs 383444 Specdb::CMs 383445 Specdb::CMs 383446 Specdb::CMs 383447 Specdb::CMs 383448 Specdb::CMs 383449 Specdb::CMs 383450 Specdb::CMs 383451 Specdb::CMs 383452 Specdb::CMs 383453 Specdb::CMs 383454 Specdb::CMs 383455 Specdb::CMs 383456 Specdb::CMs 383457 Specdb::CMs 383458 Specdb::CMs 383459 Specdb::CMs 383460 Specdb::CMs 383461 Specdb::CMs 383462 Specdb::CMs 383463 Specdb::CMs 383464 Specdb::CMs 383465 Specdb::MsMs 75909 Specdb::MsMs 75910 Specdb::MsMs 75911 Specdb::MsMs 135630 Specdb::MsMs 135631 Specdb::MsMs 135632 Specdb::MsMs 2684376 Specdb::MsMs 2684377 Specdb::MsMs 2684378 Specdb::MsMs 3024420 Specdb::MsMs 3024421 Specdb::MsMs 3024422 HMDB37347 #<Reference:0x000055ce306e2ae0> Herbs and Spices Unknown generic