1.0 2010-04-08 22:14:01 UTC 2019-11-26 03:16:53 UTC FDB018919 3,7-Dihydroxy-25-methoxycucurbita-5,23-dien-19-al Constituent of Momordica charantia (bitter melon). 3,7-Dihydroxy-25-methoxycucurbita-5,23-dien-19-al is found in fruits. 3,7-Dihydroxy-25-methoxycucurbita-5,23-dien-19-al C31H50O4 486.7263 486.370910088 5,9-dihydroxy-14-[(4E)-6-methoxy-6-methylhept-4-en-2-yl]-6,6,11,15-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-1-carbaldehyde 5,9-dihydroxy-14-[(4E)-6-methoxy-6-methylhept-4-en-2-yl]-6,6,11,15-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-1-carbaldehyde 54965-21-8 COC(C)(C)\C=C\CC(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(CCC12C)C=O InChI=1S/C31H50O4/c1-20(10-9-14-27(2,3)35-8)21-13-15-30(7)26-24(33)18-23-22(11-12-25(34)28(23,4)5)31(26,19-32)17-16-29(21,30)6/h9,14,18-22,24-26,33-34H,10-13,15-17H2,1-8H3/b14-9+ AEUOCNAZOMRXEC-NTEUORMPSA-N belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions. Cucurbitacins Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cucurbitacins Aliphatic homopolycyclic compounds 3-hydroxy delta-5-steroids 7-hydroxysteroids Aldehydes Cyclic alcohols and derivatives Delta-5-steroids Dialkyl ethers Hydrocarbon derivatives Organic oxides Secondary alcohols Triterpenoids 3-hydroxy-delta-5-steroid 3-hydroxysteroid 7-hydroxysteroid Alcohol Aldehyde Aliphatic homopolycyclic compound Carbonyl group Cucurbitacin skeleton Cyclic alcohol Delta-5-steroid Dialkyl ether Ether Hydrocarbon derivative Hydroxysteroid Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 5.89 ALOGPS logs -5.60 ALOGPS solubility 1.21e-03 g/l ALOGPS logp 5 ChemAxon pka_strongest_acidic 14.52 ChemAxon pka_strongest_basic -0.87 ChemAxon iupac 5,9-dihydroxy-14-[(4E)-6-methoxy-6-methylhept-4-en-2-yl]-6,6,11,15-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-1-carbaldehyde ChemAxon average_mass 486.7263 ChemAxon mono_mass 486.370910088 ChemAxon smiles COC(C)(C)\C=C\CC(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(CCC12C)C=O ChemAxon formula C31H50O4 ChemAxon inchi InChI=1S/C31H50O4/c1-20(10-9-14-27(2,3)35-8)21-13-15-30(7)26-24(33)18-23-22(11-12-25(34)28(23,4)5)31(26,19-32)17-16-29(21,30)6/h9,14,18-22,24-26,33-34H,10-13,15-17H2,1-8H3/b14-9+ ChemAxon inchikey AEUOCNAZOMRXEC-NTEUORMPSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 143.74 ChemAxon polarizability 58.52 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 52491 Specdb::MsMs 52492 Specdb::MsMs 52493 Specdb::MsMs 157887 Specdb::MsMs 157888 Specdb::MsMs 157889 Specdb::MsMs 2300679 Specdb::MsMs 2300680 Specdb::MsMs 2300681 Specdb::MsMs 3064841 Specdb::MsMs 3064842 Specdb::MsMs 3064843 Specdb::CMs 11640 Specdb::CMs 46378 Specdb::CMs 131292 Specdb::CMs 139026 HMDB39362 #<Reference:0x000055ce31fca7d8> Fruits Unknown generic