1.02010-04-08 22:11:59 UTC2019-11-26 03:12:01 UTCFDB015677Yuccaol CConstituent of the bark of Yucca schidigera (Mojave yucca). Yuccaol C is found in fruits.Yuccaol CC30H22O10542.4897542.1212969244-[(E)-2-(3,5-dihydroxy-4-methoxyphenyl)ethenyl]-4',6,6'-trihydroxy-2'-(4-hydroxyphenyl)-2H,2'H-3,3'-spirobi[[1]benzofuran]-2-one4-[(E)-2-(3,5-dihydroxy-4-methoxyphenyl)ethenyl]-4',6,6'-trihydroxy-2'-(4-hydroxyphenyl)-2'H-3,3'-spirobi[[1]benzofuran]-2-oneCOC1=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=C1OInChI=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 flavonoidsOrganic compoundsPhenylpropanoids and polyketides2-arylbenzofuran flavonoidsAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsAlkyl aryl ethersAnisolesBenzofuransCarbonyl compoundsCarboxylic acid estersCoumaransHydrocarbon derivativesLactonesMethoxybenzenesMethoxyphenolsMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsPhenoxy compoundsPolyolsResorcinolsStilbenesStyrenes1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid2-arylbenzofuran flavonoidAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzofuranCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterCoumaranEtherHydrocarbon derivativeLactoneMethoxybenzeneMethoxyphenolMonocarboxylic acid or derivativesMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPhenol etherPhenoxy compoundPolyolResorcinolStilbeneStyrenelogp4.23logs-4.86solubility7.48e-03 g/lmelting_pointMp 212-213°logp4.9pka_strongest_acidic8.53pka_strongest_basic-4.6iupac4-[(E)-2-(3,5-dihydroxy-4-methoxyphenyl)ethenyl]-4',6,6'-trihydroxy-2'-(4-hydroxyphenyl)-2H,2'H-3,3'-spirobi[[1]benzofuran]-2-oneaverage_mass542.4897mono_mass542.121296924smilesCOC1=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=C1OformulaC30H22O10inchiInChI=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+inchikeyUMQRRGZFEXVPFD-NSCUHMNNSA-Npolar_surface_area166.14refractivity142.97polarizability52.88rotatable_bond_count4acceptor_count9donor_count6physiological_charge0formal_charge0Specdb::CMs23950Specdb::CMs45006Specdb::CMs269885Specdb::CMs269886Specdb::CMs269887Specdb::CMs269888Specdb::CMs269889Specdb::CMs269890Specdb::CMs269891Specdb::CMs269892Specdb::CMs269893Specdb::CMs269894Specdb::CMs269895Specdb::CMs269896Specdb::CMs269897Specdb::CMs269898Specdb::CMs269899Specdb::CMs269900Specdb::CMs269901Specdb::CMs269902Specdb::CMs269903Specdb::CMs269904Specdb::CMs269905Specdb::CMs269906Specdb::CMs269907Specdb::MsMs66240Specdb::MsMs66241Specdb::MsMs66242Specdb::MsMs123753Specdb::MsMs123754Specdb::MsMs123755Specdb::MsMs2755255Specdb::MsMs2755256Specdb::MsMs2755257Specdb::MsMs2954205Specdb::MsMs2954206Specdb::MsMs2954207HMDB36739#<Reference:0x0000555676053b48>FruitsUnknowngeneric