1.0 2010-04-08 22:11:59 UTC 2019-11-26 03:12:01 UTC FDB015677 Yuccaol C Constituent of the bark of Yucca schidigera (Mojave yucca). Yuccaol C is found in fruits. Yuccaol C C30H22O10 542.4897 542.121296924 4-[(E)-2-(3,5-dihydroxy-4-methoxyphenyl)ethenyl]-4',6,6'-trihydroxy-2'-(4-hydroxyphenyl)-2H,2'H-3,3'-spirobi[[1]benzofuran]-2-one 4-[(E)-2-(3,5-dihydroxy-4-methoxyphenyl)ethenyl]-4',6,6'-trihydroxy-2'-(4-hydroxyphenyl)-2'H-3,3'-spirobi[[1]benzofuran]-2-one COC1=C(O)C=C(\C=C\C2=CC(O)=CC3=C2C2(C(OC4=C2C(O)=CC(O)=C4)C2=CC=C(O)C=C2)C(=O)O3)C=C1O InChI=1S/C30H22O10/c1-38-27-21(35)8-14(9-22(27)36)2-3-16-10-18(32)12-23-25(16)30(29(37)40-23)26-20(34)11-19(33)13-24(26)39-28(30)15-4-6-17(31)7-5-15/h2-13,28,31-36H,1H3/b3-2+ UMQRRGZFEXVPFD-NSCUHMNNSA-N belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 2-arylbenzofuran flavonoids Organic compounds Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Benzofurans Carbonyl compounds Carboxylic acid esters Coumarans Hydrocarbon derivatives Lactones Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Polyols Resorcinols Stilbenes Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-arylbenzofuran flavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Coumaran Ether Hydrocarbon derivative Lactone Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Polyol Resorcinol Stilbene Styrene logp 4.23 ALOGPS logs -4.86 ALOGPS solubility 7.48e-03 g/l ALOGPS melting_point Mp 212-213° logp 4.9 ChemAxon pka_strongest_acidic 8.53 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 4-[(E)-2-(3,5-dihydroxy-4-methoxyphenyl)ethenyl]-4',6,6'-trihydroxy-2'-(4-hydroxyphenyl)-2H,2'H-3,3'-spirobi[[1]benzofuran]-2-one ChemAxon average_mass 542.4897 ChemAxon mono_mass 542.121296924 ChemAxon smiles COC1=C(O)C=C(\C=C\C2=CC(O)=CC3=C2C2(C(OC4=C2C(O)=CC(O)=C4)C2=CC=C(O)C=C2)C(=O)O3)C=C1O ChemAxon formula C30H22O10 ChemAxon inchi InChI=1S/C30H22O10/c1-38-27-21(35)8-14(9-22(27)36)2-3-16-10-18(32)12-23-25(16)30(29(37)40-23)26-20(34)11-19(33)13-24(26)39-28(30)15-4-6-17(31)7-5-15/h2-13,28,31-36H,1H3/b3-2+ ChemAxon inchikey UMQRRGZFEXVPFD-NSCUHMNNSA-N ChemAxon polar_surface_area 166.14 ChemAxon refractivity 142.97 ChemAxon polarizability 52.88 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23950 Specdb::CMs 45006 Specdb::CMs 269885 Specdb::CMs 269886 Specdb::CMs 269887 Specdb::CMs 269888 Specdb::CMs 269889 Specdb::CMs 269890 Specdb::CMs 269891 Specdb::CMs 269892 Specdb::CMs 269893 Specdb::CMs 269894 Specdb::CMs 269895 Specdb::CMs 269896 Specdb::CMs 269897 Specdb::CMs 269898 Specdb::CMs 269899 Specdb::CMs 269900 Specdb::CMs 269901 Specdb::CMs 269902 Specdb::CMs 269903 Specdb::CMs 269904 Specdb::CMs 269905 Specdb::CMs 269906 Specdb::CMs 269907 Specdb::MsMs 66240 Specdb::MsMs 66241 Specdb::MsMs 66242 Specdb::MsMs 123753 Specdb::MsMs 123754 Specdb::MsMs 123755 Specdb::MsMs 2755255 Specdb::MsMs 2755256 Specdb::MsMs 2755257 Specdb::MsMs 2954205 Specdb::MsMs 2954206 Specdb::MsMs 2954207 HMDB36739 #<Reference:0x000055ce325ee038> Fruits Unknown generic