1.0 2010-04-08 22:13:47 UTC 2019-11-26 03:16:19 UTC FDB018559 (R)-6'-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin Constituent of Citrus hassaku juice oil. (R)-6'-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin is found in citrus. (R)-6-O-(4-Geranyloxy-2-hydroxy)-cinnamoylmarmin (R)-6'-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin C38H46O8 630.767 630.319268448 (6E)-2-hydroxy-2,6-dimethyl-8-[(2-oxo-2H-chromen-7-yl)oxy]oct-6-en-3-yl (2E)-3-(4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2-hydroxyphenyl)prop-2-enoate (6E)-2-hydroxy-2,6-dimethyl-8-[(2-oxochromen-7-yl)oxy]oct-6-en-3-yl (2E)-3-(4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2-hydroxyphenyl)prop-2-enoate 142628-36-2 CC(C)=CCC\C(C)=C\COC1=CC=C(\C=C\C(=O)OC(CC\C(C)=C\COC2=CC=C3C=CC(=O)OC3=C2)C(C)(C)O)C(O)=C1 InChI=1S/C38H46O8/c1-26(2)8-7-9-27(3)20-22-43-31-15-11-29(33(39)24-31)13-18-37(41)46-35(38(5,6)42)17-10-28(4)21-23-44-32-16-12-30-14-19-36(40)45-34(30)25-32/h8,11-16,18-21,24-25,35,39,42H,7,9-10,17,22-23H2,1-6H3/b18-13+,27-20+,28-21+ GHUBHRMKAZWBIH-IPXVTYHMSA-N belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Terpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aromatic monoterpenoids Bicyclic monoterpenoids Carbonyl compounds Cinnamic acid esters Coumarins and derivatives Enoate esters Fatty acid esters Heteroaromatic compounds Hydrocarbon derivatives Hydroxycinnamic acids Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Phenol ethers Phenoxy compounds Pyranones and derivatives Styrenes Tertiary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Aromatic monoterpenoid Benzenoid Benzopyran Bicyclic monoterpenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Cinnamic acid or derivatives Coumarin Enoate ester Ether Fatty acid ester Fatty acyl Heteroaromatic compound Hydrocarbon derivative Hydroxycinnamic acid Hydroxycinnamic acid or derivatives Lactone Monocarboxylic acid or derivatives Monocyclic benzene moiety Monoterpenoid Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Pyran Pyranone Styrene Terpene lactone Tertiary alcohol logp 6.94 ALOGPS logs -6.33 ALOGPS solubility 2.95e-04 g/l ALOGPS logp 8.1 ChemAxon pka_strongest_acidic 9.12 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (6E)-2-hydroxy-2,6-dimethyl-8-[(2-oxo-2H-chromen-7-yl)oxy]oct-6-en-3-yl (2E)-3-(4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 630.767 ChemAxon mono_mass 630.319268448 ChemAxon smiles CC(C)=CCC\C(C)=C\COC1=CC=C(\C=C\C(=O)OC(CC\C(C)=C\COC2=CC=C3C=CC(=O)OC3=C2)C(C)(C)O)C(O)=C1 ChemAxon formula C38H46O8 ChemAxon inchi InChI=1S/C38H46O8/c1-26(2)8-7-9-27(3)20-22-43-31-15-11-29(33(39)24-31)13-18-37(41)46-35(38(5,6)42)17-10-28(4)21-23-44-32-16-12-30-14-19-36(40)45-34(30)25-32/h8,11-16,18-21,24-25,35,39,42H,7,9-10,17,22-23H2,1-6H3/b18-13+,27-20+,28-21+ ChemAxon inchikey GHUBHRMKAZWBIH-IPXVTYHMSA-N ChemAxon polar_surface_area 111.52 ChemAxon refractivity 184.21 ChemAxon polarizability 73.01 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22639 Specdb::CMs 584436 Specdb::CMs 584437 Specdb::CMs 584438 Specdb::CMs 584439 Specdb::CMs 584440 Specdb::CMs 584441 Specdb::CMs 793186 Specdb::MsMs 89670 Specdb::MsMs 89671 Specdb::MsMs 89672 Specdb::MsMs 152643 Specdb::MsMs 152644 Specdb::MsMs 152645 Specdb::MsMs 2410651 Specdb::MsMs 2410652 Specdb::MsMs 2410653 Specdb::MsMs 2554483 Specdb::MsMs 2554484 Specdb::MsMs 2554485 HMDB39061 #<Reference:0x000055ce319984c8> Citrus Unknown generic