1.0 2010-04-08 22:05:18 UTC 2019-11-26 02:57:13 UTC FDB002249 Manglupenone Constituent of the stem bark of Mangifera indica variety Dusehri. Manglupenone is found in fruits. Manglupenone C30H44O2 436.6692 436.334130652 8-(3-hydroxyprop-1-en-2-yl)-1,2,5,14,18,18-hexamethylpentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosa-10,15-dien-17-one 8-(3-hydroxyprop-1-en-2-yl)-1,2,5,14,18,18-hexamethylpentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosa-10,15-dien-17-one 152369-65-8 CC12CCC(C1C1=CCC3C4(C)C=CC(=O)C(C)(C)C4CCC3(C)C1(C)CC2)C(=C)CO InChI=1S/C30H44O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h8,12,14,20,22-23,25,31H,1,9-11,13,15-18H2,2-7H3 ZQIULKXWJGSFAC-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic homopolycyclic compounds Cyclohexenones Delta-7-steroids Hydrocarbon derivatives Organic oxides Primary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Cyclohexenone Delta-7-steroid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Steroid Triterpenoid logp 6.18 ALOGPS logs -6.01 ALOGPS solubility 4.30e-04 g/l ALOGPS logp 6.32 ChemAxon pka_strongest_acidic 16.95 ChemAxon pka_strongest_basic -1.9 ChemAxon iupac 8-(3-hydroxyprop-1-en-2-yl)-1,2,5,14,18,18-hexamethylpentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosa-10,15-dien-17-one ChemAxon average_mass 436.6692 ChemAxon mono_mass 436.334130652 ChemAxon smiles CC12CCC(C1C1=CCC3C4(C)C=CC(=O)C(C)(C)C4CCC3(C)C1(C)CC2)C(=C)CO ChemAxon formula C30H44O2 ChemAxon inchi InChI=1S/C30H44O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h8,12,14,20,22-23,25,31H,1,9-11,13,15-18H2,2-7H3 ChemAxon inchikey ZQIULKXWJGSFAC-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 133.8 ChemAxon polarizability 52.83 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16094 Specdb::CMs 41902 Specdb::CMs 158835 Specdb::MsMs 93567 Specdb::MsMs 93568 Specdb::MsMs 93569 Specdb::MsMs 157353 Specdb::MsMs 157354 Specdb::MsMs 157355 Specdb::MsMs 2351251 Specdb::MsMs 2351252 Specdb::MsMs 2351253 Specdb::MsMs 2584049 Specdb::MsMs 2584050 Specdb::MsMs 2584051 HMDB30395 #<Reference:0x000055ce335bfea8> Fruits Unknown generic