1.0 2010-04-08 22:08:03 UTC 2025-11-18 23:09:40 UTC FDB008367 Danielone Phytoalexin isolated from the fruits of papaya (Carica papaya). Danielone is found in papaya and fruits. 2-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-ethanone 2,4'-Dihydroxy-3',5'-dimethoxyacetophenone 3',5'-Dimethoxy-4'-hydroxy-(2-hydroxy)acetophenone a-Hydroxyacetosyringone Danielone Ethanone, 2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)- C10H12O5 212.1993 212.068473494 2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)ethan-1-one danielone 90426-22-5 COC1=CC(=CC(OC)=C1O)C(=O)CO InChI=1S/C10H12O5/c1-14-8-3-6(7(12)5-11)4-9(15-2)10(8)13/h3-4,11,13H,5H2,1-2H3 ZTBAPEIDNUHRNC-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Alkyl-phenylketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic homomonocyclic compounds Alkyl aryl ethers Alpha-hydroxy ketones Anisoles Aryl alkyl ketones Benzoyl derivatives Dimethoxybenzenes Hydrocarbon derivatives Methoxyphenols Organic oxides Phenoxy compounds Primary alcohols Alcohol Alkyl aryl ether Alkyl-phenylketone Alpha-hydroxy ketone Anisole Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Dimethoxybenzene Ether Hydrocarbon derivative M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Phenol Phenol ether Phenoxy compound Primary alcohol aromatic ketone dimethoxybenzene phenols primary alcohol logp 0.63 ALOGPS logs -1.75 ALOGPS solubility 3.78e+00 g/l ALOGPS melting_point Mp 145° logp 0.095 ChemAxon pka_strongest_acidic 7.62 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)ethan-1-one ChemAxon average_mass 212.1993 ChemAxon mono_mass 212.068473494 ChemAxon smiles COC1=CC(=CC(OC)=C1O)C(=O)CO ChemAxon formula C10H12O5 ChemAxon inchi InChI=1S/C10H12O5/c1-14-8-3-6(7(12)5-11)4-9(15-2)10(8)13/h3-4,11,13H,5H2,1-2H3 ChemAxon inchikey ZTBAPEIDNUHRNC-UHFFFAOYSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 53.07 ChemAxon polarizability 20.7 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5945 Specdb::CMs 42586 Specdb::CMs 137855 Specdb::CMs 145589 Specdb::MsMs 51792 Specdb::MsMs 51793 Specdb::MsMs 51794 Specdb::MsMs 163977 Specdb::MsMs 163978 Specdb::MsMs 163979 Specdb::MsMs 2673763 Specdb::MsMs 2673764 Specdb::MsMs 2673765 Specdb::MsMs 3031859 Specdb::MsMs 3031860 Specdb::MsMs 3031861 Specdb::NmrOneD 165469 Specdb::NmrOneD 165470 Specdb::NmrOneD 165471 Specdb::NmrOneD 165472 Specdb::NmrOneD 165473 Specdb::NmrOneD 165474 Specdb::NmrOneD 165475 Specdb::NmrOneD 165476 Specdb::NmrOneD 165477 Specdb::NmrOneD 165478 Specdb::NmrOneD 165479 Specdb::NmrOneD 165480 Specdb::NmrOneD 165481 Specdb::NmrOneD 165482 Specdb::NmrOneD 165483 Specdb::NmrOneD 165484 Specdb::NmrOneD 165485 Specdb::NmrOneD 165486 Specdb::NmrOneD 165487 Specdb::NmrOneD 165488 HMDB31704 #<Reference:0x000055ce2f65dd78> Fruits Unknown generic Papaya Type 1 specific Carica papaya 3649