1.0 2016-09-30 23:02:18 UTC 2020-04-22 15:11:34 UTC BMDB0002972 BMDB02972 Vitamin K1 2,3-epoxide (2,3-Epoxyphytyl)menaquinone 2,3-Epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone 2,3-Epoxyphylloquinone 1a,7a-Dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-naphth[2,3-b]oxirene-2,7-dione Phylloquinone oxide Phylloquinone epoxide Phylloquinone-2,3-epoxide Vitamin K1 oxide Vitamin K(1) oxide Vitamin K1 epoxide Vitamin K epoxide Vitamin K1 2,3-epoxide 1,4-Naphthoquinone, 2,3-epoxy-2,3-dihydro-2-methyl-3-phytyl-2,3-epoxyphylloquinone Naphth[2,3-b]oxirene-2,7-dione, 1a,7a-dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-phylloquinone oxide Phylloquinone, epoxide Vitamin K 2,3-epoxide Vitamin K1, epoxide Phylloquinone 2,3-epoxide C31H46O3 466.706 466.344695341 1a-methyl-7a-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1aH,2H,7H,7aH-naphtho[2,3-b]oxirene-2,7-dione 1a-methyl-7a-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphtho[2,3-b]oxirene-2,7-dione 25486-55-9 CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC12OC1(C)C(=O)C1=C(C=CC=C1)C2=O InChI=1S/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+ KUTXFBIHPWIDJQ-LKUDQCMESA-N belongs to the class of organic compounds known as vitamin k compounds. These are quinone lipids containing a methylated naphthoquinone ring structure, and vary in the aliphatic side chain attached at the 3-position. Organic compounds Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids Vitamin K compounds Aryl alkyl ketones Dialkyl ethers Diterpenoids Epoxides Hydrocarbon derivatives Naphthoquinones Organic oxides Oxacyclic compounds Quinones Tetralins Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Dialkyl ether Diterpenoid Ether Hydrocarbon derivative Ketone Naphthalene Naphthoquinone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Quinone Tetralin Aromatic heteropolycyclic compounds vitamin K Solid logp 8.28 ALOGPS logs -7.32 ALOGPS logp 9.22 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 1a-methyl-7a-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1aH,2H,7H,7aH-naphtho[2,3-b]oxirene-2,7-dione ChemAxon average_mass 466.706 ChemAxon mono_mass 466.344695341 ChemAxon smiles CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC12OC1(C)C(=O)C1=C(C=CC=C1)C2=O ChemAxon formula C31H46O3 ChemAxon inchi InChI=1S/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+ ChemAxon inchikey KUTXFBIHPWIDJQ-LKUDQCMESA-N ChemAxon polar_surface_area 46.67 ChemAxon refractivity 141.69 ChemAxon polarizability 56.48 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 36546 Specdb::MsMs 913978 Specdb::MsMs 913979 Specdb::MsMs 913980 Specdb::MsMs 962140 Specdb::MsMs 962141 Specdb::MsMs 962142 5280845 C05849 BMDBP00354 Vitamin K epoxide reductase complex subunit 1 Q6B4J2 VKORC1 Enzyme