1.0 2019-09-16 21:24:08 UTC 2019-11-26 03:24:13 UTC FDB093578 Fuscaxanthone A C29H32O6 476.569 476.21988875 7-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,9-dihydroxy-8-methoxy-2,2-dimethyl-2,6-dihydro-1,11-dioxatetracen-6-one 7-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,9-dihydroxy-8-methoxy-2,2-dimethyl-1,11-dioxatetracen-6-one COC1=C(C\C=C(/C)CCC=C(C)C)C2=C(OC3=CC4=C(C=CC(C)(C)O4)C(O)=C3C2=O)C=C1O InChI=1S/C29H32O6/c1-16(2)8-7-9-17(3)10-11-19-24-22(14-20(30)28(19)33-6)34-23-15-21-18(12-13-29(4,5)35-21)26(31)25(23)27(24)32/h8,10,12-15,30-31H,7,9,11H2,1-6H3/b17-10+ XDMFZDJOFFBFDK-LICLKQGHSA-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 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Anisoles Aromatic monoterpenoids Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives Pyranoxanthones Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 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 Pyran Pyranochromene Pyranone Pyranoxanthone Vinylogous acid logp 5.56 ALOGPS logs -5.40 ALOGPS solubility 1.88e-03 g/l ALOGPS logp 7.13 ChemAxon pka_strongest_acidic 7.69 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 7-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,9-dihydroxy-8-methoxy-2,2-dimethyl-2,6-dihydro-1,11-dioxatetracen-6-one ChemAxon average_mass 476.569 ChemAxon mono_mass 476.21988875 ChemAxon smiles COC1=C(C\C=C(/C)CCC=C(C)C)C2=C(OC3=CC4=C(C=CC(C)(C)O4)C(O)=C3C2=O)C=C1O ChemAxon formula C29H32O6 ChemAxon inchi InChI=1S/C29H32O6/c1-16(2)8-7-9-17(3)10-11-19-24-22(14-20(30)28(19)33-6)34-23-15-21-18(12-13-29(4,5)35-21)26(31)25(23)27(24)32/h8,10,12-15,30-31H,7,9,11H2,1-6H3/b17-10+ ChemAxon inchikey XDMFZDJOFFBFDK-LICLKQGHSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 139.68 ChemAxon polarizability 53.42 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1278061 Specdb::MsMs 1278062 Specdb::MsMs 1278063 Specdb::MsMs 1392970 Specdb::MsMs 1392971 Specdb::MsMs 1392972 Specdb::MsMs 3609502 Specdb::MsMs 3609503 Specdb::MsMs 3609504 Specdb::MsMs 3609505 Specdb::MsMs 3609506 Specdb::MsMs 3609507 Mundu Type 1 Garcinia dulcis