1.0 2020-02-10 19:45:57 UTC 2020-05-11 22:39:41 UTC BMDB0063680 BMDB63680 (-)-Dihydrocarveol (1R,2R,4R)-Dihydrocarveol (1R,2R,4R)-P-Menth-8-en-2-ol (1R,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexanol (1R,2R,5R)-5-Isopropenyl-2-methylcyclohexanol C10H18O 154.2493 154.135765198 (2R,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexan-1-ol (2R,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexan-1-ol 20549-47-7 C[C@@H]1CC[C@H](CC1O)C(C)=C InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10?/m1/s1 KRCZYMFUWVJCLI-MGRQHWMJSA-N belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Menthane monoterpenoids Cyclic alcohols and derivatives Cyclohexanols Hydrocarbon derivatives Monocyclic monoterpenoids Alcohol Aliphatic homomonocyclic compound Cyclic alcohol Cyclohexanol Hydrocarbon derivative Monocyclic monoterpenoid Organic oxygen compound Organooxygen compound P-menthane monoterpenoid Secondary alcohol Aliphatic homomonocyclic compounds logp 2.70 ALOGPS logs -2.07 ALOGPS logp 2.32 ChemAxon pka_strongest_acidic 18.99 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (2R,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexan-1-ol ChemAxon average_mass 154.2493 ChemAxon mono_mass 154.135765198 ChemAxon smiles C[C@@H]1CC[C@H](CC1O)C(C)=C ChemAxon formula C10H18O ChemAxon inchi InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10?/m1/s1 ChemAxon inchikey KRCZYMFUWVJCLI-MGRQHWMJSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 47.22 ChemAxon polarizability 19 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 13253 Specdb::CMs 44581 Specdb::CMs 174167 Specdb::MsMs 108381 Specdb::MsMs 108382 Specdb::MsMs 108383 Specdb::MsMs 175587 Specdb::MsMs 175588 Specdb::MsMs 175589 Specdb::MsMs 2261239 Specdb::MsMs 2261240 Specdb::MsMs 2261241 Specdb::MsMs 3077013 Specdb::MsMs 3077014 Specdb::MsMs 3077015 Mammary Gland 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under corn stover based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Mammary Gland 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Ruminal Fluid Samples collected from 16 multiparous Holstein cows Sun HZ, Wang DM, Wang B, Wang JK, Liu HY, Guan le L, Liu JX: Metabolomics of four biofluids from dairy cows: potential biomarkers for milk production and quality. J Proteome Res. 2015 Feb 6;14(2):1287-98. doi: 10.1021/pr501305g. Epub 2015 Jan 28. 25599412 FDB014913 35014027 443163 149 C00010937 C11396