1.0 2010-04-08 22:12:06 UTC 2025-11-19 01:01:13 UTC FDB015882 Flavochrome Constituent of Calendula officinalis (pot marigold). Flavochrome is found in bitter gourd. 5,8-Epoxy-5,8-dihydro-b,e-carotene C40H56O 552.872 552.433116414 4,4,7a-trimethyl-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-6,11,15-trimethyl-17-(2,6,6-trimethylcyclohex-2-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,4,5,6,7,7a-hexahydro-1-benzofuran 4,4,7a-trimethyl-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-6,11,15-trimethyl-17-(2,6,6-trimethylcyclohex-2-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,5,6,7-tetrahydro-1-benzofuran 473-05-2 C\C(\C=C\C=C(/C)\C=C\C1C(C)=CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C1OC2(C)CCCC(C)(C)C2=C1 InChI=1S/C40H56O/c1-30(19-13-20-32(3)24-25-35-33(4)23-15-26-38(35,6)7)17-11-12-18-31(2)21-14-22-34(5)36-29-37-39(8,9)27-16-28-40(37,10)41-36/h11-14,17-25,29,35-36H,15-16,26-28H2,1-10H3/b12-11+,19-13+,21-14+,25-24+,30-17+,31-18+,32-20+,34-22+ QWVMSYBGKWZIIE-FZKBJVJCSA-N belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. Xanthophylls Organic compounds Lipids and lipid-like molecules Prenol lipids Tetraterpenoids Aliphatic heteropolycyclic compounds Benzofurans Dialkyl ethers Dihydrofurans Hydrocarbon derivatives Oxacyclic compounds Aliphatic heteropolycyclic compound Benzofuran Dialkyl ether Dihydrofuran Ether Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Xanthophyll logp 9.83 ALOGPS logs -6.32 ALOGPS solubility 2.66e-04 g/l ALOGPS melting_point Mp 189° logp 10.42 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 4,4,7a-trimethyl-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-6,11,15-trimethyl-17-(2,6,6-trimethylcyclohex-2-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,4,5,6,7,7a-hexahydro-1-benzofuran ChemAxon average_mass 552.872 ChemAxon mono_mass 552.433116414 ChemAxon smiles C\C(\C=C\C=C(/C)\C=C\C1C(C)=CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C1OC2(C)CCCC(C)(C)C2=C1 ChemAxon formula C40H56O ChemAxon inchi InChI=1S/C40H56O/c1-30(19-13-20-32(3)24-25-35-33(4)23-15-26-38(35,6)7)17-11-12-18-31(2)21-14-22-34(5)36-29-37-39(8,9)27-16-28-40(37,10)41-36/h11-14,17-25,29,35-36H,15-16,26-28H2,1-10H3/b12-11+,19-13+,21-14+,25-24+,30-17+,31-18+,32-20+,34-22+ ChemAxon inchikey QWVMSYBGKWZIIE-FZKBJVJCSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 190.48 ChemAxon polarizability 71.32 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 58416 Specdb::MsMs 58417 Specdb::MsMs 58418 Specdb::MsMs 114348 Specdb::MsMs 114349 Specdb::MsMs 114350 Specdb::MsMs 2414074 Specdb::MsMs 2414075 Specdb::MsMs 2414076 Specdb::MsMs 2551052 Specdb::MsMs 2551053 Specdb::MsMs 2551054 Specdb::CMs 14268 HMDB36917 #<Reference:0x000055ce325119f8> Bitter gourd Type 1 specific Momordica charantia 3673