1.0 2010-04-08 22:09:31 UTC 2019-11-26 03:04:40 UTC FDB011196 Anigorootin Constituent of Musa acuminata (dwarf banana). Anigorootin is found in fruits. C38H22O6 574.5777 574.141638436 1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaene-27,28-dione 1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaene-27,28-dione 221287-38-3 OC12OC3=C4C5C1C1=C(OC5(O)C(=O)C5=C(C=CC(C=C3)=C45)C3=CC=CC=C3)C=CC3=C1C(C2=O)=C(C=C3)C1=CC=CC=C1 InChI=1S/C38H22O6/c39-35-29-23(19-7-3-1-4-8-19)15-11-21-13-17-25-31(27(21)29)33-34-32-26(43-37(33,35)41)18-14-22-12-16-24(20-9-5-2-6-10-20)30(28(22)32)36(40)38(34,42)44-25/h1-18,33-34,41-42H YOXXPZVESHZYHK-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 Aryl alkyl ketones Benzene and substituted derivatives Hemiacetals Hydrocarbon derivatives Naphthopyranones Organic oxides Oxacyclic compounds Phenalanes Phenylnaphthalenes Pyranones and derivatives Xanthenes 1-benzopyran 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 Phenylnaphthalene Pyran Pyranone Xanthene logp 5.44 ALOGPS logs -6.19 ALOGPS solubility 3.68e-04 g/l ALOGPS logp 7 ChemAxon pka_strongest_acidic 9.4 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaene-27,28-dione ChemAxon average_mass 574.5777 ChemAxon mono_mass 574.141638436 ChemAxon smiles OC12OC3=C4C5C1C1=C(OC5(O)C(=O)C5=C(C=CC(C=C3)=C45)C3=CC=CC=C3)C=CC3=C1C(C2=O)=C(C=C3)C1=CC=CC=C1 ChemAxon formula C38H22O6 ChemAxon inchi InChI=1S/C38H22O6/c39-35-29-23(19-7-3-1-4-8-19)15-11-21-13-17-25-31(27(21)29)33-34-32-26(43-37(33,35)41)18-14-22-12-16-24(20-9-5-2-6-10-20)30(28(22)32)36(40)38(34,42)44-25/h1-18,33-34,41-42H ChemAxon inchikey YOXXPZVESHZYHK-UHFFFAOYSA-N ChemAxon polar_surface_area 93.06 ChemAxon refractivity 163.15 ChemAxon polarizability 60.91 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12386 Specdb::MsMs 12387 Specdb::MsMs 12388 Specdb::MsMs 19058 Specdb::MsMs 19059 Specdb::MsMs 19060 Specdb::MsMs 2310695 Specdb::MsMs 2310696 Specdb::MsMs 2310697 Specdb::MsMs 2651078 Specdb::MsMs 2651079 Specdb::MsMs 2651080 Specdb::CMs 10175 Specdb::CMs 43130 Specdb::CMs 282411 Specdb::CMs 373080 Specdb::CMs 373081 Specdb::CMs 373082 HMDB33185 #<Reference:0x000055ce2f23e0d0> Fruits Unknown generic