1.0 2010-04-08 22:12:00 UTC 2019-11-26 03:12:04 UTC FDB015696 Bryonolic acid Constituent of Sandoricum indicum (santol). Bryonolic acid is found in many foods, some of which are olive, calabash, towel gourd, and fruits. 3beta-Hydroxy-D-C-friedoolean-8-en-29-oic acid Bryonolic acid C30H48O3 456.7003 456.360345402 10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicene-2-carboxylic acid 10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid 24480-45-3 CC1(C)C(O)CCC2(C)C1CCC1=C2CCC2(C)C3CC(C)(CCC3(C)CCC12C)C(O)=O InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33) BHVJSLPLFOAMEV-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group. Cyclic alcohols and derivatives Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic homopolycyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Secondary alcohol logp 6.46 ALOGPS logs -5.38 ALOGPS solubility 1.89e-03 g/l ALOGPS melting_point Mp 300-303° logp 6.55 ChemAxon pka_strongest_acidic 4.62 ChemAxon pka_strongest_basic -0.81 ChemAxon iupac 10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicene-2-carboxylic acid ChemAxon average_mass 456.7003 ChemAxon mono_mass 456.360345402 ChemAxon smiles CC1(C)C(O)CCC2(C)C1CCC1=C2CCC2(C)C3CC(C)(CCC3(C)CCC12C)C(O)=O ChemAxon formula C30H48O3 ChemAxon inchi InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33) ChemAxon inchikey BHVJSLPLFOAMEV-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 133.36 ChemAxon polarizability 55.31 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16252 Specdb::CMs 45020 Specdb::CMs 170558 Specdb::MsMs 100140 Specdb::MsMs 100141 Specdb::MsMs 100142 Specdb::MsMs 165387 Specdb::MsMs 165388 Specdb::MsMs 165389 Specdb::MsMs 2329701 Specdb::MsMs 2329702 Specdb::MsMs 2329703 Specdb::MsMs 2636614 Specdb::MsMs 2636615 Specdb::MsMs 2636616 HMDB36757 #<Reference:0x000055ce33112ea0> Calabash Type 1 specific Lagenaria siceraria 3668 Fruits Unknown generic Olive Type 1 specific Olea europaea 4146 Towel gourd Type 1 specific Luffa aegyptiaca 3670 Watermelon Type 1 specific Citrullus lanatus 3654 Anti-allergic 103 A drug used to treat allergic reactions. Anti-anaphylactic 111 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-inflammatory 370 A substance that reduces or suppresses inflammation.