1.0 2010-04-08 22:15:38 UTC 2019-11-26 03:20:15 UTC FDB021339 1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol Isolated from the rhizomes of Musa acuminata (dwarf banana) infected with Fusarium oxysporum. 1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol is found in fruits. C20H22O5 342.3857 342.146723814 1-[(2Z)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-yl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-2,6-diol 1-[(2Z)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-yl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-2,6-diol 163811-77-6 COC1=C(O)C=C2CCC(O)C(C(O)\C=C/C3=CC=C(O)C=C3)C2=C1 InChI=1S/C20H22O5/c1-25-19-11-15-13(10-18(19)24)5-9-17(23)20(15)16(22)8-4-12-2-6-14(21)7-3-12/h2-4,6-8,10-11,16-17,20-24H,5,9H2,1H3/b8-4- WCBFHZJDMQCSLQ-YWEYNIOJSA-N belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. Tetralins Organic compounds Benzenoids Tetralins Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Cinnamyl alcohols Hydrocarbon derivatives Secondary alcohols Styrenes 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Anisole Aromatic homopolycyclic compound Cinnamyl alcohol Ether Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol Secondary alcohol Styrene Tetralin logp 2.26 ALOGPS logs -3.76 ALOGPS solubility 5.99e-02 g/l ALOGPS melting_point Mp 112-115° logp 2.64 ChemAxon pka_strongest_acidic 9.4 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 1-[(2Z)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-yl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-2,6-diol ChemAxon average_mass 342.3857 ChemAxon mono_mass 342.146723814 ChemAxon smiles COC1=C(O)C=C2CCC(O)C(C(O)\C=C/C3=CC=C(O)C=C3)C2=C1 ChemAxon formula C20H22O5 ChemAxon inchi InChI=1S/C20H22O5/c1-25-19-11-15-13(10-18(19)24)5-9-17(23)20(15)16(22)8-4-12-2-6-14(21)7-3-12/h2-4,6-8,10-11,16-17,20-24H,5,9H2,1H3/b8-4- ChemAxon inchikey WCBFHZJDMQCSLQ-YWEYNIOJSA-N ChemAxon polar_surface_area 90.15 ChemAxon refractivity 96.54 ChemAxon polarizability 35.66 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23561 Specdb::CMs 47296 Specdb::CMs 171868 Specdb::MsMs 318220 Specdb::MsMs 318221 Specdb::MsMs 318222 Specdb::MsMs 364930 Specdb::MsMs 364931 Specdb::MsMs 364932 Specdb::MsMs 2824747 Specdb::MsMs 2824748 Specdb::MsMs 2824749 Specdb::MsMs 2853994 Specdb::MsMs 2853995 Specdb::MsMs 2853996 HMDB41400 #<Reference:0x000055ce323ab208> Fruits Unknown generic