1.0 2019-09-16 21:23:28 UTC 2019-11-26 03:24:13 UTC FDB093562 Cowanin C29H34O6 478.585 478.235538815 1-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,6,8-trihydroxy-2-methoxy-7-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one 1-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,6,8-trihydroxy-2-methoxy-7-(3-methylbut-2-en-1-yl)xanthen-9-one COC1=C(C\C=C(/C)CCC=C(C)C)C2=C(OC3=CC(O)=C(CC=C(C)C)C(O)=C3C2=O)C=C1O InChI=1S/C29H34O6/c1-16(2)8-7-9-18(5)11-13-20-25-23(15-22(31)29(20)34-6)35-24-14-21(30)19(12-10-17(3)4)27(32)26(24)28(25)33/h8,10-11,14-15,30-32H,7,9,12-13H2,1-6H3/b18-11+ GVDDDYKLKUMEGV-WOJGMQOQSA-N belongs to the class of organic compounds known as 8-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 8-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group. 8-prenylated xanthones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2-prenylated xanthones Alkyl aryl ethers Anisoles Aromatic monoterpenoids Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-prenylated xanthone 8-prenylated xanthone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aromatic monoterpenoid Benzenoid Chromone Ether Heteroaromatic compound Hydrocarbon derivative Monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Polyol Pyran Pyranone Vinylogous acid logp 5.79 ALOGPS logs -5.31 ALOGPS solubility 2.32e-03 g/l ALOGPS logp 7.66 ChemAxon pka_strongest_acidic 7.24 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 1-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,6,8-trihydroxy-2-methoxy-7-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one ChemAxon average_mass 478.585 ChemAxon mono_mass 478.235538815 ChemAxon smiles COC1=C(C\C=C(/C)CCC=C(C)C)C2=C(OC3=CC(O)=C(CC=C(C)C)C(O)=C3C2=O)C=C1O ChemAxon formula C29H34O6 ChemAxon inchi InChI=1S/C29H34O6/c1-16(2)8-7-9-18(5)11-13-20-25-23(15-22(31)29(20)34-6)35-24-14-21(30)19(12-10-17(3)4)27(32)26(24)28(25)33/h8,10-11,14-15,30-32H,7,9,12-13H2,1-6H3/b18-11+ ChemAxon inchikey GVDDDYKLKUMEGV-WOJGMQOQSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 141.51 ChemAxon polarizability 53.75 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1244875 Specdb::MsMs 1244876 Specdb::MsMs 1244877 Specdb::MsMs 1360243 Specdb::MsMs 1360244 Specdb::MsMs 1360245 Specdb::MsMs 3609412 Specdb::MsMs 3609413 Specdb::MsMs 3609414 Specdb::MsMs 3609415 Specdb::MsMs 3609416 Specdb::MsMs 3609417 Mundu Type 1 Garcinia dulcis