1.0 2010-04-08 22:14:29 UTC 2019-11-26 03:17:44 UTC FDB019640 4'-Hydroxyanigorootin Constituent of the rhizomes of Musa acuminata (dwarf banana). 4'-Hydroxyanigorootin is found in fruits. 4'-Hydroxyanigorootin C38H22O7 590.5771 590.136553058 1,14-dihydroxy-22-(4-hydroxyphenyl)-9-phenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3,5,7,9,11,16(25),17,19(24),20,22-decaene-27,28-dione 1,14-dihydroxy-22-(4-hydroxyphenyl)-9-phenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3,5,7,9,11,16(25),17,19(24),20,22-decaene-27,28-dione OC1=CC=C(C=C1)C1=C2C(=O)C3(O)OC4=CC=C5C=CC(C6=CC=CC=C6)=C6C(=O)C7(O)OC8=C(C3C7C4=C56)C2=C(C=C8)C=C1 InChI=1S/C38H22O7/c39-22-12-6-19(7-13-22)24-15-9-21-11-17-26-32-28(21)30(24)36(41)38(43)34(32)33-31-25(45-38)16-10-20-8-14-23(18-4-2-1-3-5-18)29(27(20)31)35(40)37(33,42)44-26/h1-17,33-34,39,42-43H XZCJFUARCWOJON-UHFFFAOYSA-N belongs to the class of organic compounds known as isoflavans. These are polycyclic compounds with a structure based on the 3-phenyl-3,4-dihydro-2H-1-benzopyran skeleton. Isoflavans Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflavans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Aryl alkyl ketones Benzene and substituted derivatives Hemiacetals Hydrocarbon derivatives Naphthopyranones Organic oxides Oxacyclic compounds Phenalanes Phenylnaphthalenes Pyranones and derivatives Xanthenes 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Dibenzopyran Hemiacetal Hydrocarbon derivative Isoflavan Ketone Monocyclic benzene moiety Naphthalene Naphthopyran Naphthopyranone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenalane Phenol Phenylnaphthalene Pyran Pyranone Xanthene logp 5.39 ALOGPS logs -5.80 ALOGPS solubility 9.27e-04 g/l ALOGPS logp 6.7 ChemAxon pka_strongest_acidic 9.05 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 1,14-dihydroxy-22-(4-hydroxyphenyl)-9-phenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3,5,7,9,11,16(25),17,19(24),20,22-decaene-27,28-dione ChemAxon average_mass 590.5771 ChemAxon mono_mass 590.136553058 ChemAxon smiles OC1=CC=C(C=C1)C1=C2C(=O)C3(O)OC4=CC=C5C=CC(C6=CC=CC=C6)=C6C(=O)C7(O)OC8=C(C3C7C4=C56)C2=C(C=C8)C=C1 ChemAxon formula C38H22O7 ChemAxon inchi InChI=1S/C38H22O7/c39-22-12-6-19(7-13-22)24-15-9-21-11-17-26-32-28(21)30(24)36(41)38(43)34(32)33-31-25(45-38)16-10-20-8-14-23(18-4-2-1-3-5-18)29(27(20)31)35(40)37(33,42)44-26/h1-17,33-34,39,42-43H ChemAxon inchikey XZCJFUARCWOJON-UHFFFAOYSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 165.13 ChemAxon polarizability 62.3 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9665 Specdb::CMs 46664 Specdb::CMs 282862 Specdb::CMs 418788 Specdb::CMs 418789 Specdb::CMs 418790 Specdb::CMs 418791 Specdb::CMs 418792 Specdb::CMs 418793 Specdb::CMs 418794 Specdb::CMs 418795 Specdb::CMs 418796 Specdb::CMs 418797 Specdb::CMs 418798 Specdb::CMs 418799 Specdb::MsMs 287332 Specdb::MsMs 287333 Specdb::MsMs 287334 Specdb::MsMs 326149 Specdb::MsMs 326150 Specdb::MsMs 326151 Specdb::MsMs 2818107 Specdb::MsMs 2818108 Specdb::MsMs 2818109 Specdb::MsMs 2887658 Specdb::MsMs 2887659 Specdb::MsMs 2887660 HMDB39972 #<Reference:0x000055ce326bbb28> Fruits Unknown generic