1.0 2016-09-30 23:25:57 UTC 2020-05-21 16:28:46 UTC BMDB0006779 BMDB06779 Indole-5,6-quinone Indole-5,6-quinone belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. Indole-5,6-quinone is possibly soluble (in water) and a strong basic compound (based on its pKa). Indole-5,6-quinone exists in all living organisms, ranging from bacteria to humans. 1H-Indole-5,6-dione Indole-5,6 quinone C8H5NO2 147.1308 147.032028409 5,6-dihydro-1H-indole-5,6-dione indole-5,6-quinone 582-59-2 O=C1C=C2NC=CC2=CC1=O InChI=1S/C8H5NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9H IGGVVGHJSQSLFO-UHFFFAOYSA-N belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. Organic compounds Organoheterocyclic compounds Indoles and derivatives Indoles and derivatives Azacyclic compounds Cyclic ketones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Pyrroles Vinylogous amides Aromatic heteropolycyclic compound Azacycle Carbonyl group Cyclic ketone Heteroaromatic compound Hydrocarbon derivative Indole or derivatives Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Vinylogous amide Aromatic heteropolycyclic compounds an alkaloid indoledione quinone Solid logp 0.09 ALOGPS logs -1.15 ALOGPS logp 0.65 ChemAxon pka_strongest_basic 4.01 ChemAxon iupac 5,6-dihydro-1H-indole-5,6-dione ChemAxon average_mass 147.1308 ChemAxon mono_mass 147.032028409 ChemAxon smiles O=C1C=C2NC=CC2=CC1=O ChemAxon formula C8H5NO2 ChemAxon inchi InChI=1S/C8H5NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9H ChemAxon inchikey IGGVVGHJSQSLFO-UHFFFAOYSA-N ChemAxon polar_surface_area 46.17 ChemAxon refractivity 42.15 ChemAxon polarizability 13.76 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Tyrosine Metabolism SMP0087235 Specdb::CMs 10335 Specdb::CMs 150336 Specdb::MsIr 2421 Specdb::MsIr 2422 Specdb::MsIr 2423 Specdb::MsMs 288778 Specdb::MsMs 288779 Specdb::MsMs 288780 Specdb::MsMs 328009 Specdb::MsMs 328010 Specdb::MsMs 328011 Specdb::MsMs 2367166 Specdb::MsMs 2367167 Specdb::MsMs 2367168 Specdb::MsMs 2598406 Specdb::MsMs 2598407 Specdb::MsMs 2598408 Specdb::NmrOneD 88612 Specdb::NmrOneD 88613 Specdb::NmrOneD 88614 Specdb::NmrOneD 88615 Specdb::NmrOneD 88616 Specdb::NmrOneD 88617 Specdb::NmrOneD 88618 Specdb::NmrOneD 88619 Specdb::NmrOneD 88620 Specdb::NmrOneD 88621 Specdb::NmrOneD 88622 Specdb::NmrOneD 88623 Specdb::NmrOneD 88624 Specdb::NmrOneD 88625 Specdb::NmrOneD 88626 Specdb::NmrOneD 88627 Specdb::NmrOneD 88628 Specdb::NmrOneD 88629 Specdb::NmrOneD 88630 Specdb::NmrOneD 88631 Milk By GC-TOFMS and UPLC-QTOFMS Qian L, Zhao A, Zhang Y, Chen T, Zeisel SH, Jia W, Cai W: Metabolomic Approaches to Explore Chemical Diversity of Human Breast-Milk, Formula Milk and Bovine Milk. Int J Mol Sci. 2016 Dec 17;17(12). pii: ijms17122128. doi: 10.3390/ijms17122128. 27999311 389600 FDB024077 C05579 440728 27406 CPD-12373 Indole-5,6-quinone Qian L, Zhao A, Zhang Y, Chen T, Zeisel SH, Jia W, Cai W: Metabolomic Approaches to Explore Chemical Diversity of Human Breast-Milk, Formula Milk and Bovine Milk. Int J Mol Sci. 2016 Dec 17;17(12). pii: ijms17122128. doi: 10.3390/ijms17122128. 27999311 BMDBP00662 Tyrosinase Q8MIU0 TYR Enzyme