1.0 2019-09-16 21:23:56 UTC 2019-11-26 03:24:13 UTC FDB093573 Cratoxylone C24H28O7 428.481 428.183503242 1,3,6-trihydroxy-2-(3-hydroxy-3-methylbutyl)-7-methoxy-8-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one 1,3,6-trihydroxy-2-(3-hydroxy-3-methylbutyl)-7-methoxy-8-(3-methylbut-2-en-1-yl)xanthen-9-one COC1=C(CC=C(C)C)C2=C(OC3=CC(O)=C(CCC(C)(C)O)C(O)=C3C2=O)C=C1O InChI=1S/C24H28O7/c1-12(2)6-7-14-19-17(11-16(26)23(14)30-5)31-18-10-15(25)13(8-9-24(3,4)29)21(27)20(18)22(19)28/h6,10-11,25-27,29H,7-9H2,1-5H3 JSXIWUDODLMCGG-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 8-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group. 8-prenylated xanthones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2-prenylated xanthones Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Tertiary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-prenylated xanthone 8-prenylated xanthone Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Chromone Ether Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Phenol Phenol ether Polyol Pyran Pyranone Tertiary alcohol Vinylogous acid logp 3.79 ALOGPS logs -4.74 ALOGPS solubility 7.85e-03 g/l ALOGPS logp 4.93 ChemAxon pka_strongest_acidic 7.54 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 1,3,6-trihydroxy-2-(3-hydroxy-3-methylbutyl)-7-methoxy-8-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one ChemAxon average_mass 428.481 ChemAxon mono_mass 428.183503242 ChemAxon smiles COC1=C(CC=C(C)C)C2=C(OC3=CC(O)=C(CCC(C)(C)O)C(O)=C3C2=O)C=C1O ChemAxon formula C24H28O7 ChemAxon inchi InChI=1S/C24H28O7/c1-12(2)6-7-14-19-17(11-16(26)23(14)30-5)31-18-10-15(25)13(8-9-24(3,4)29)21(27)20(18)22(19)28/h6,10-11,25-27,29H,7-9H2,1-5H3 ChemAxon inchikey JSXIWUDODLMCGG-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 118.69 ChemAxon polarizability 46.51 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1288747 Specdb::MsMs 1288748 Specdb::MsMs 1288749 Specdb::MsMs 1403506 Specdb::MsMs 1403507 Specdb::MsMs 1403508 Specdb::MsMs 3609475 Specdb::MsMs 3609476 Specdb::MsMs 3609477 Specdb::MsMs 3609478 Specdb::MsMs 3609479 Specdb::MsMs 3609480 Mundu Type 1 Garcinia dulcis