1.0 2010-04-08 22:04:54 UTC 2020-02-24 19:10:22 UTC FDB001288 Cycloartomunoxanthone Constituent of the roots of Artocarpus communis (breadfruit). Cycloartomunoxanthone is found in breadfruit and fruits. 5a,6-Dihydro-1,8-dihydroxy-3-methoxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one C26H24O7 448.4646 448.152203122 12,23-dihydroxy-21-methoxy-8,8,18,18-tetramethyl-3,9,19-trioxahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁵,¹⁰.0²⁰,²⁴]tetracosa-1(24),2(15),4(13),5(10),6,11,20,22-octaen-14-one cycloartomunoxanthone 135023-20-0 COC1=C2OC(C)(C)C3CC4=C(OC5=C(C(O)=CC6=C5C=CC(C)(C)O6)C4=O)C(=C23)C(O)=C1 InChI=1S/C26H24O7/c1-25(2)7-6-11-16(32-25)9-15(28)20-21(29)12-8-13-18-19(23(12)31-22(11)20)14(27)10-17(30-5)24(18)33-26(13,3)4/h6-7,9-10,13,27-28H,8H2,1-5H3 HKEMUQOOVFTSNA-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranoxanthones. These are organic aromatic compounds containing a pyran or a hydrogenated derivative fused to a xanthone ring system. Pyranoxanthones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Anisoles Chromones Coumarans Heteroaromatic compounds Hydrocarbon derivatives Naphthols and derivatives Naphthopyranones Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-naphthol 2,2-dimethyl-1-benzopyran Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Chromone Coumaran Ether Heteroaromatic compound Hydrocarbon derivative Naphthalene Naphthopyran Naphthopyranone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranochromene Pyranone Pyranoxanthone Vinylogous acid Flavones and Flavonols logp 4.64 ALOGPS logs -4.70 ALOGPS solubility 8.96e-03 g/l ALOGPS melting_point Mp 264-266° logp 4.18 ChemAxon pka_strongest_acidic 6.26 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 12,23-dihydroxy-21-methoxy-8,8,18,18-tetramethyl-3,9,19-trioxahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁵,¹⁰.0²⁰,²⁴]tetracosa-1(24),2(15),4(13),5(10),6,11,20,22-octaen-14-one ChemAxon average_mass 448.4646 ChemAxon mono_mass 448.152203122 ChemAxon smiles COC1=C2OC(C)(C)C3CC4=C(OC5=C(C(O)=CC6=C5C=CC(C)(C)O6)C4=O)C(=C23)C(O)=C1 ChemAxon formula C26H24O7 ChemAxon inchi InChI=1S/C26H24O7/c1-25(2)7-6-11-16(32-25)9-15(28)20-21(29)12-8-13-18-19(23(12)31-22(11)20)14(27)10-17(30-5)24(18)33-26(13,3)4/h6-7,9-10,13,27-28H,8H2,1-5H3 ChemAxon inchikey HKEMUQOOVFTSNA-UHFFFAOYSA-N ChemAxon polar_surface_area 94.45 ChemAxon refractivity 123.04 ChemAxon polarizability 47.98 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22415 Specdb::CMs 41688 Specdb::CMs 146502 Specdb::MsMs 60147 Specdb::MsMs 60148 Specdb::MsMs 60149 Specdb::MsMs 116427 Specdb::MsMs 116428 Specdb::MsMs 116429 Specdb::MsMs 2743810 Specdb::MsMs 2743811 Specdb::MsMs 2743812 Specdb::MsMs 2934414 Specdb::MsMs 2934415 Specdb::MsMs 2934416 HMDB29999 #<Reference:0x000055ce322be890> Breadfruit Type 1 specific Artocarpus altilis 194251 Fruits Unknown generic