1.0 2010-04-08 22:12:03 UTC 2019-11-26 03:12:12 UTC FDB015784 Heliocide H2 Constituent of Gossypium hirsutum (cotton). Heliocide H2 is found in fats and oils. C25H30O5 410.5027 410.20932407 2,3-dihydroxy-10a-methyl-7-(4-methylpent-3-en-1-yl)-9,10-dioxo-4-(propan-2-yl)-5,8,8a,9,10,10a-hexahydroanthracene-1-carbaldehyde 2,3-dihydroxy-4-isopropyl-10a-methyl-7-(4-methylpent-3-en-1-yl)-9,10-dioxo-8,8a-dihydro-5H-anthracene-1-carbaldehyde 63525-06-4 CC(C)C1=C2C(=O)C3(C)CC=C(CCC=C(C)C)CC3C(=O)C2=C(C=O)C(O)=C1O InChI=1S/C25H30O5/c1-13(2)7-6-8-15-9-10-25(5)17(11-15)22(28)19-16(12-26)21(27)23(29)18(14(3)4)20(19)24(25)30/h7,9,12,14,17,27,29H,6,8,10-11H2,1-5H3 BSQZWSGAKJSBOZ-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxyanthraquinones. Hydroxyanthraquinones are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group. Hydroxyanthraquinones Organic compounds Benzenoids Anthracenes Anthraquinones Aromatic homopolycyclic compounds Aryl alkyl ketones Aryl-aldehydes Hydrocarbon derivatives Organic oxides Quinones Sesquiterpenoids Tetralins Vinylogous acids Aldehyde Aromatic homopolycyclic compound Aryl alkyl ketone Aryl ketone Aryl-aldehyde Cadinane sesquiterpenoid Hydrocarbon derivative Hydroxyanthraquinone Ketone Organic oxide Organic oxygen compound Organooxygen compound Quinone Sesquiterpenoid Tetralin Vinylogous acid logp 4.23 ALOGPS logs -4.51 ALOGPS solubility 1.27e-02 g/l ALOGPS melting_point Mp 123-126° logp 5.75 ChemAxon pka_strongest_acidic 6.6 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 2,3-dihydroxy-10a-methyl-7-(4-methylpent-3-en-1-yl)-9,10-dioxo-4-(propan-2-yl)-5,8,8a,9,10,10a-hexahydroanthracene-1-carbaldehyde ChemAxon average_mass 410.5027 ChemAxon mono_mass 410.20932407 ChemAxon smiles CC(C)C1=C2C(=O)C3(C)CC=C(CCC=C(C)C)CC3C(=O)C2=C(C=O)C(O)=C1O ChemAxon formula C25H30O5 ChemAxon inchi InChI=1S/C25H30O5/c1-13(2)7-6-8-15-9-10-25(5)17(11-15)22(28)19-16(12-26)21(27)23(29)18(14(3)4)20(19)24(25)30/h7,9,12,14,17,27,29H,6,8,10-11H2,1-5H3 ChemAxon inchikey BSQZWSGAKJSBOZ-UHFFFAOYSA-N ChemAxon polar_surface_area 91.67 ChemAxon refractivity 120.1 ChemAxon polarizability 46.4 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20179 Specdb::CMs 45062 Specdb::CMs 164255 Specdb::MsMs 109383 Specdb::MsMs 109384 Specdb::MsMs 109385 Specdb::MsMs 176811 Specdb::MsMs 176812 Specdb::MsMs 176813 Specdb::MsMs 2402588 Specdb::MsMs 2402589 Specdb::MsMs 2402590 Specdb::MsMs 2532804 Specdb::MsMs 2532805 Specdb::MsMs 2532806 HMDB36833 #<Reference:0x000055ce30f8d500> Fats and oils Unknown generic