1.0 2010-04-08 22:14:50 UTC 2019-11-26 03:18:33 UTC FDB020155 Chamomillol Constituent of Matricaria chamomilla (German chamomile). Chamomillol is found in tea, german camomile, and herbs and spices. Chamomillol C15H26O 222.3663 222.198365454 (1S,4R,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-ol (1S,4R,4aS,8aR)-1-isopropyl-4,7-dimethyl-3,4,4a,5,6,8a-hexahydro-2H-naphthalen-1-ol 86341-93-7 [H][C@@]12CCC(C)=C[C@]1([H])[C@](O)(CC[C@H]2C)C(C)C InChI=1S/C15H26O/c1-10(2)15(16)8-7-12(4)13-6-5-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15+/m1/s1 MUROKQYXIPVTGD-QPSCCSFWSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Cadinane sesquiterpenoid Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Sesquiterpenoid Tertiary alcohol logp 3.74 ALOGPS logs -3.59 ALOGPS solubility 5.70e-02 g/l ALOGPS logp 3.69 ChemAxon pka_strongest_basic -0.15 ChemAxon iupac (1S,4R,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-ol ChemAxon average_mass 222.3663 ChemAxon mono_mass 222.198365454 ChemAxon smiles [H][C@@]12CCC(C)=C[C@]1([H])[C@](O)(CC[C@H]2C)C(C)C ChemAxon formula C15H26O ChemAxon inchi InChI=1S/C15H26O/c1-10(2)15(16)8-7-12(4)13-6-5-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15+/m1/s1 ChemAxon inchikey MUROKQYXIPVTGD-QPSCCSFWSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 69.28 ChemAxon polarizability 27.49 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21439 Specdb::CMs 46771 Specdb::CMs 146347 Specdb::MsMs 313702 Specdb::MsMs 313703 Specdb::MsMs 313704 Specdb::MsMs 359251 Specdb::MsMs 359252 Specdb::MsMs 359253 Specdb::MsMs 2746354 Specdb::MsMs 2746355 Specdb::MsMs 2746356 Specdb::MsMs 2932101 Specdb::MsMs 2932102 Specdb::MsMs 2932103 HMDB40422 #<Reference:0x000055ce31cf80c8> Black tea Type 1 German camomile Type 1 specific Matricaria recutita 127986 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442