1.0 2010-04-08 22:13:34 UTC 2019-11-26 03:15:51 UTC FDB018197 Batatasin I Constituent of Dioscorea batatas (Chinese yam). Batatasin I is found in root vegetables. 2,5,7-Trimethoxy-3-phenanthrenol 2,5,7-Trimethoxyphenanthren-3-ol 3-Hydroxy-2,5,7-trimethoxyphenanthrene 3-Phenanthrenol, 2,5,7-trimethoxy- 6-Hydroxy-2,4,7-trimethoxyphenanthrene Batatasin I Chikusetsu saponin iva C17H16O4 284.3065 284.104859 2,5,7-trimethoxyphenanthren-3-ol batatasin I 51415-00-0 COC1=CC(OC)=C2C(C=CC3=CC(OC)=C(O)C=C23)=C1 InChI=1S/C17H16O4/c1-19-12-6-11-5-4-10-7-15(20-2)14(18)9-13(10)17(11)16(8-12)21-3/h4-9,18H,1-3H3 KGYHMWVRKYFQQR-UHFFFAOYSA-N belongs to the class of organic compounds known as phenanthrols. Phenanthrols are compounds containing a phenanthrene (or its hydrogenated derivative) to which a hydroxyl group is attached. Phenanthrols Organic compounds Benzenoids Phenanthrenes and derivatives Phenanthrols Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Hydrocarbon derivatives Naphthols and derivatives 1-hydroxy-2-unsubstituted benzenoid 2-naphthol Alkyl aryl ether Anisole Aromatic homopolycyclic compound Ether Hydrocarbon derivative Naphthalene Organic oxygen compound Organooxygen compound Phenanthrol phenanthrenes phenanthrol logp 3.32 ALOGPS logs -4.35 ALOGPS solubility 1.27e-02 g/l ALOGPS melting_point Mp 148.5-149.6° logp 3.18 ChemAxon pka_strongest_acidic 9.68 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 2,5,7-trimethoxyphenanthren-3-ol ChemAxon average_mass 284.3065 ChemAxon mono_mass 284.104859 ChemAxon smiles COC1=CC(OC)=C2C(C=CC3=CC(OC)=C(O)C=C23)=C1 ChemAxon formula C17H16O4 ChemAxon inchi InChI=1S/C17H16O4/c1-19-12-6-11-5-4-10-7-15(20-2)14(18)9-13(10)17(11)16(8-12)21-3/h4-9,18H,1-3H3 ChemAxon inchikey KGYHMWVRKYFQQR-UHFFFAOYSA-N ChemAxon polar_surface_area 47.92 ChemAxon refractivity 80.33 ChemAxon polarizability 30.33 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24941 Specdb::CMs 46048 Specdb::CMs 135466 Specdb::CMs 143200 Specdb::MsMs 73980 Specdb::MsMs 73981 Specdb::MsMs 73982 Specdb::MsMs 133248 Specdb::MsMs 133249 Specdb::MsMs 133250 Specdb::MsMs 3049829 Specdb::MsMs 3049830 Specdb::MsMs 3049831 Specdb::MsMs 3118073 Specdb::MsMs 3118074 Specdb::MsMs 3118075 HMDB38778 #<Reference:0x000055ce32217108> Root vegetables Unknown generic