1.0 2018-06-29 22:18:52 UTC 2020-06-04 20:41:37 UTC BMDB0062207 BMDB62207 Menatetrenone 2-Methyl-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,4-naphthoquinone 2-Methyl-3-geranylgeranyl-1,4-naphthoquinone 2-Methyl-3-trans-tetraprenyl-1,4-naphthoquinone Menaquinone 4 Menaquinone K4 Menatetrenona Menatetrenonum MK-4 MK4 Vitamin K2(20) Vitamin MK 4 Vitamin K2 Menaquinone-4 (e,e,e)-Isomer OF menatetrenone 2-Methyl-3-all-trans-tetraprenyl-1,4-naphthoquinone Kefton-2 Vitamin MK-4 Vitamin K 2 Vitamin K quinone Menaquinone Menaquinones C31H40O2 444.659 444.302830528 2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-1,4-dihydronaphthalene-1,4-dione menatetrenone 863-61-6 [H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=C(C)C(=O)C2=CC=CC=C2C1=O)=C(\C)CCC=C(C)C InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+ DKHGMERMDICWDU-GHDNBGIDSA-N belongs to the class of organic compounds known as menaquinones. These are vitamin K2 compounds consisting of a naphtho-1,4-quinone ring system, which is substituted at the 2-position by an isoprenyl side-chain, and usually, at the 3-position by a methyl group. Organic compounds Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids Menaquinones Aryl ketones Diterpenoids Hydrocarbon derivatives Naphthoquinones Organic oxides Quinones Aromatic homopolycyclic compound Aryl ketone Benzenoid Diterpenoid Hydrocarbon derivative Ketone Menaquinone Naphthalene Naphthoquinone Organic oxide Organic oxygen compound Organooxygen compound Quinone Aromatic homopolycyclic compounds menaquinone logp 7.24 ALOGPS logs -5.96 ALOGPS logp 8.48 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-1,4-dihydronaphthalene-1,4-dione ChemAxon average_mass 444.659 ChemAxon mono_mass 444.302830528 ChemAxon smiles [H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=C(C)C(=O)C2=CC=CC=C2C1=O)=C(\C)CCC=C(C)C ChemAxon formula C31H40O2 ChemAxon inchi InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+ ChemAxon inchikey DKHGMERMDICWDU-GHDNBGIDSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 145.51 ChemAxon polarizability 54.92 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 286935 Specdb::NmrOneD 286936 Specdb::NmrOneD 286937 Specdb::NmrOneD 286938 Specdb::NmrOneD 286939 Specdb::NmrOneD 286940 Specdb::NmrOneD 286941 Specdb::NmrOneD 286942 Specdb::NmrOneD 286943 Specdb::NmrOneD 286944 Specdb::NmrOneD 286945 Specdb::NmrOneD 286946 Specdb::NmrOneD 286947 Specdb::NmrOneD 286948 Specdb::NmrOneD 286949 Specdb::NmrOneD 286950 Specdb::NmrOneD 286951 Specdb::NmrOneD 286952 Specdb::NmrOneD 286953 Specdb::NmrOneD 286954 Specdb::MsMs 103383 Specdb::MsMs 103384 Specdb::MsMs 103385 Specdb::MsMs 169413 Specdb::MsMs 169414 Specdb::MsMs 169415 Specdb::MsMs 2447163 Specdb::MsMs 2447164 Specdb::MsMs 2447165 Specdb::MsMs 2518497 Specdb::MsMs 2518498 Specdb::MsMs 2518499 Specdb::CMs 28235 Specdb::CMs 100487 Specdb::CMs 102734 Specdb::CMs 158000 FDB029792 DB12148 4445530 5282367 78277 C00828 CPD-9726 Menatetrenone