1.0 2010-04-08 22:09:34 UTC 2019-11-26 03:04:46 UTC FDB011290 Bisnorbadioquinone A Isolated from higher fungus Xerocomus badius (kostanjevka). Bisnorbadioquinone A is found in mushrooms. C34H18O14 650.4983 650.069655284 2-[(2E)-4-{7-[(5Z)-5-[carboxy(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]-3,4-dioxo-3,4-dihydronaphthalen-1-yl}-3-hydroxy-5-oxo-2,5-dihydrofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid [(2E)-4-{7-[(5Z)-5-[carboxy(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-3,4-dioxonaphthalen-1-yl}-3-hydroxy-5-oxofuran-2-ylidene](4-hydroxyphenyl)acetic acid 90295-70-8 OC(=O)C(=C1/OC(=O)C(=C1O)C1=CC2=C(C=C1)C(=O)C(=O)C=C2C1=C(O)\C(OC1=O)=C(/C(O)=O)C1=CC=C(O)C=C1)\C1=CC=C(O)C=C1 InChI=1S/C34H18O14/c35-16-6-1-13(2-7-16)23(31(41)42)29-27(39)22(33(45)47-29)15-5-10-18-19(11-15)20(12-21(37)26(18)38)25-28(40)30(48-34(25)46)24(32(43)44)14-3-8-17(36)9-4-14/h1-12,35-36,39-40H,(H,41,42)(H,43,44)/b29-23-,30-24+ DPDCZWLANAIGKX-UEUMJKGWSA-N belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Terpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Aromatic monoterpenoids Aryl ketones Benzene and substituted derivatives Bicyclic monoterpenoids Butenolides Carboxylic acids Enoate esters Enol esters Enols Hydrocarbon derivatives Lactones Naphthoquinones Organic oxides Oxacyclic compounds Quinones Tetracarboxylic acids and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 2-furanone Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Aromatic monoterpenoid Aryl ketone Benzenoid Bicyclic monoterpenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Dihydrofuran Enoate ester Enol Enol ester Hydrocarbon derivative Ketone Lactone Monocyclic benzene moiety Monoterpenoid Naphthalene Naphthoquinone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Quinone Terpene lactone Tetracarboxylic acid or derivatives Vinylogous acid logp 2.56 ALOGPS logs -5.37 ALOGPS solubility 2.80e-03 g/l ALOGPS logp 3 ChemAxon pka_strongest_acidic 2.23 ChemAxon pka_strongest_basic -6 ChemAxon iupac 2-[(2E)-4-{7-[(5Z)-5-[carboxy(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]-3,4-dioxo-3,4-dihydronaphthalen-1-yl}-3-hydroxy-5-oxo-2,5-dihydrofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid ChemAxon average_mass 650.4983 ChemAxon mono_mass 650.069655284 ChemAxon smiles OC(=O)C(=C1/OC(=O)C(=C1O)C1=CC2=C(C=C1)C(=O)C(=O)C=C2C1=C(O)\C(OC1=O)=C(/C(O)=O)C1=CC=C(O)C=C1)\C1=CC=C(O)C=C1 ChemAxon formula C34H18O14 ChemAxon inchi InChI=1S/C34H18O14/c35-16-6-1-13(2-7-16)23(31(41)42)29-27(39)22(33(45)47-29)15-5-10-18-19(11-15)20(12-21(37)26(18)38)25-28(40)30(48-34(25)46)24(32(43)44)14-3-8-17(36)9-4-14/h1-12,35-36,39-40H,(H,41,42)(H,43,44)/b29-23-,30-24+ ChemAxon inchikey DPDCZWLANAIGKX-UEUMJKGWSA-N ChemAxon polar_surface_area 242.26 ChemAxon refractivity 165.5 ChemAxon polarizability 61.72 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 12 ChemAxon donor_count 6 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 100656 Specdb::MsMs 100657 Specdb::MsMs 100658 Specdb::MsMs 166056 Specdb::MsMs 166057 Specdb::MsMs 166058 Specdb::MsMs 2321572 Specdb::MsMs 2321573 Specdb::MsMs 2321574 Specdb::MsMs 2613211 Specdb::MsMs 2613212 Specdb::MsMs 2613213 Specdb::CMs 18959 Specdb::CMs 643144 Specdb::CMs 643145 Specdb::CMs 643146 Specdb::CMs 643147 Specdb::CMs 643148 Specdb::CMs 643149 Specdb::CMs 643150 Specdb::CMs 643151 Specdb::CMs 643152 Specdb::CMs 643153 Specdb::CMs 643154 Specdb::CMs 643155 Specdb::CMs 643156 Specdb::CMs 643157 Specdb::CMs 643158 Specdb::CMs 643159 Specdb::CMs 643160 Specdb::CMs 643161 Specdb::CMs 643162 Specdb::CMs 643163 Specdb::CMs 643164 Specdb::CMs 643165 Specdb::CMs 643166 Specdb::CMs 643167 HMDB33267 #<Reference:0x000055ce31643d40> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322