1.0 2010-04-08 22:05:20 UTC 2020-02-24 19:10:29 UTC FDB002359 Artonol E Constituent of the bark of Artocarpus communis (breadfruit). Artonol E is found in breadfruit and fruits. 6,7-Dihydro-5,9,14-trihydroxy-11-methoxy-3,3-dimethyl-6-(1-methylethenyl)-3H,8H-[1]benzopyrano[7,6-c]xanthen-8-one C26H24O7 448.4646 448.152203122 5,10,14-trihydroxy-8-methoxy-2,2-dimethyl-13-(prop-1-en-2-yl)-2,11,12,13-tetrahydro-1,6-dioxapentaphen-11-one artonol E 186824-61-3 COC1=CC(O)=C2C(OC3=C(CC(C(C)=C)C4=C3C(O)=C3C=CC(C)(C)OC3=C4O)C2=O)=C1 InChI=1S/C26H24O7/c1-11(2)14-10-15-22(29)19-16(27)8-12(31-5)9-17(19)32-24(15)20-18(14)23(30)25-13(21(20)28)6-7-26(3,4)33-25/h6-9,14,27-28,30H,1,10H2,2-5H3 CNWSDOLXOOXOCZ-UHFFFAOYSA-N belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. 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 Chromones Heteroaromatic compounds Hydrocarbon derivatives Naphthols and derivatives Naphthopyranones Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-naphthol 2,2-dimethyl-1-benzopyran Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Chromone Ether Heteroaromatic compound Hydrocarbon derivative Naphthalene Naphthopyran Naphthopyranone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Polyol Pyran Pyranone Vinylogous acid Xanthone Flavones and Flavonols logp 4.44 ALOGPS logs -4.43 ALOGPS solubility 1.68e-02 g/l ALOGPS melting_point Mp 224-227° logp 4.57 ChemAxon pka_strongest_acidic 8.25 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 5,10,14-trihydroxy-8-methoxy-2,2-dimethyl-13-(prop-1-en-2-yl)-2,11,12,13-tetrahydro-1,6-dioxapentaphen-11-one ChemAxon average_mass 448.4646 ChemAxon mono_mass 448.152203122 ChemAxon smiles COC1=CC(O)=C2C(OC3=C(CC(C(C)=C)C4=C3C(O)=C3C=CC(C)(C)OC3=C4O)C2=O)=C1 ChemAxon formula C26H24O7 ChemAxon inchi InChI=1S/C26H24O7/c1-11(2)14-10-15-22(29)19-16(27)8-12(31-5)9-17(19)32-24(15)20-18(14)23(30)25-13(21(20)28)6-7-26(3,4)33-25/h6-9,14,27-28,30H,1,10H2,2-5H3 ChemAxon inchikey CNWSDOLXOOXOCZ-UHFFFAOYSA-N ChemAxon polar_surface_area 105.45 ChemAxon refractivity 124.84 ChemAxon polarizability 47.64 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18666 Specdb::CMs 41962 Specdb::CMs 135265 Specdb::CMs 142999 Specdb::MsMs 10358 Specdb::MsMs 10359 Specdb::MsMs 10360 Specdb::MsMs 17030 Specdb::MsMs 17031 Specdb::MsMs 17032 Specdb::MsMs 2409973 Specdb::MsMs 2409974 Specdb::MsMs 2409975 Specdb::MsMs 2555557 Specdb::MsMs 2555558 Specdb::MsMs 2555559 HMDB30490 #<Reference:0x000055ce332c7ef8> Breadfruit Type 1 specific Artocarpus altilis 194251 Fruits Unknown generic