1.0 2010-04-08 22:05:23 UTC 2025-11-18 22:37:35 UTC FDB002454 Trisjuglone Constituent of Juglans regia (walnut) roots. Trisjuglone is found in common walnut and nuts. 1,7,13-Trihydroxy-5,6,11,12,17,18-trinaphthylenehexone, 9CI Cyclotrijuglone C30H12O9 516.4109 516.048131982 5,15,25-trihydroxyheptacyclo[20.8.0.0²,¹¹.0⁴,⁹.0¹²,²¹.0¹⁴,¹⁹.0²⁴,²⁹]triaconta-1(22),2(11),4(9),5,7,12(21),14(19),15,17,24(29),25,27-dodecaene-3,10,13,20,23,30-hexone 5,15,25-trihydroxyheptacyclo[20.8.0.0²,¹¹.0⁴,⁹.0¹²,²¹.0¹⁴,¹⁹.0²⁴,²⁹]triaconta-1(22),2(11),4(9),5,7,12(21),14(19),15,17,24(29),25,27-dodecaene-3,10,13,20,23,30-hexone 50838-55-6 OC1=CC=CC2=C1C(=O)C1=C(C2=O)C2=C(C(=O)C3=C(C(O)=CC=C3)C2=O)C2=C1C(=O)C1=C(C(O)=CC=C1)C2=O InChI=1S/C30H12O9/c31-13-7-1-4-10-16(13)28(37)22-19(25(10)34)23-21(27(36)11-5-2-8-14(32)17(11)29(23)38)24-20(22)26(35)12-6-3-9-15(33)18(12)30(24)39/h1-9,31-33H DNGCQXLPUZWYNB-UHFFFAOYSA-N belongs to the class of organic compounds known as triphenylenes. Triphenylenes are compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene. Triphenylenes Organic compounds Benzenoids Phenanthrenes and derivatives Triphenylenes Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Anthracenes Hydrocarbon derivatives Naphthols and derivatives Organic oxides Polyols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-naphthol Anthracene Aromatic homopolycyclic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Polyol Triphenylene Vinylogous acid logp 4.18 ALOGPS logs -3.79 ALOGPS solubility 8.44e-02 g/l ALOGPS melting_point Mp 360° logp -0.75 ChemAxon pka_strongest_acidic 1.44 ChemAxon pka_strongest_basic 5.79 ChemAxon iupac 5,15,25-trihydroxyheptacyclo[20.8.0.0²,¹¹.0⁴,⁹.0¹²,²¹.0¹⁴,¹⁹.0²⁴,²⁹]triaconta-1(22),2(11),4(9),5,7,12(21),14(19),15,17,24(29),25,27-dodecaene-3,10,13,20,23,30-hexone ChemAxon average_mass 516.4109 ChemAxon mono_mass 516.048131982 ChemAxon smiles OC1=CC=CC2=C1C(=O)C1=C(C2=O)C2=C(C(=O)C3=C(C(O)=CC=C3)C2=O)C2=C1C(=O)C1=C(C(O)=CC=C1)C2=O ChemAxon formula C30H12O9 ChemAxon inchi InChI=1S/C30H12O9/c31-13-7-1-4-10-16(13)28(37)22-19(25(10)34)23-21(27(36)11-5-2-8-14(32)17(11)29(23)38)24-20(22)26(35)12-6-3-9-15(33)18(12)30(24)39/h1-9,31-33H ChemAxon inchikey DNGCQXLPUZWYNB-UHFFFAOYSA-N ChemAxon polar_surface_area 163.11 ChemAxon refractivity 137.28 ChemAxon polarizability 51.01 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 9 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17749 Specdb::CMs 42002 Specdb::NmrOneD 17642 Specdb::NmrOneD 17643 Specdb::NmrOneD 17644 Specdb::NmrOneD 17645 Specdb::NmrOneD 17646 Specdb::NmrOneD 17647 Specdb::NmrOneD 17648 Specdb::NmrOneD 17649 Specdb::NmrOneD 17650 Specdb::NmrOneD 17651 Specdb::NmrOneD 17652 Specdb::NmrOneD 17653 Specdb::NmrOneD 17654 Specdb::NmrOneD 17655 Specdb::NmrOneD 17656 Specdb::NmrOneD 17657 Specdb::NmrOneD 17658 Specdb::NmrOneD 17659 Specdb::NmrOneD 17660 Specdb::NmrOneD 17661 Specdb::MsMs 53880 Specdb::MsMs 53881 Specdb::MsMs 53882 Specdb::MsMs 132393 Specdb::MsMs 132394 Specdb::MsMs 132395 Specdb::MsMs 2281828 Specdb::MsMs 2281829 Specdb::MsMs 2281830 Specdb::MsMs 3084274 Specdb::MsMs 3084275 Specdb::MsMs 3084276 HMDB30568 #<Reference:0x000055ce31c589b0> Common walnut Type 1 specific Juglans regia 51240 Nuts Unknown generic