1.0 2010-04-08 22:15:17 UTC 2018-05-29 01:48:27 UTC FDB020834 14alpha-Hydroxypaxilline Metabolite from Penicillium paxilliand is) also identified chromatographically in Acremonium lolii 14a-Hydroxypaxilline 7-Hydroxypaxilline C27H33NO5 451.5546 451.235873171 5,11-dihydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17(22),18,20-pentaen-8-one 5,11-dihydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17(22),18,20-pentaen-8-one 157530-30-8 CC(C)(O)C1OC2(O)CCC3(C)C4(C)C(CC5=C4NC4=C5C=CC=C4)CCC3(O)C2=CC1=O InChI=1S/C27H33NO5/c1-23(2,30)22-19(29)14-20-26(31)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,32)33-22/h5-8,14-15,22,28,30-32H,9-13H2,1-4H3 ROIDNUNHRGMTMG-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Naphthopyrans Organic compounds Organoheterocyclic compounds Naphthopyrans Aromatic heteropolycyclic compounds 3-alkylindoles Azacyclic compounds Cyclic alcohols and derivatives Cyclic ketones Dihydropyranones Hemiacetals Heteroaromatic compounds Hydrocarbon derivatives Naphthalenes Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pyrroles Tertiary alcohols 3-alkylindole Alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Cyclic alcohol Cyclic ketone Dihydropyranone Hemiacetal Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives Ketone Naphthalene Naphthopyran Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyran Pyrrole Tertiary alcohol logp 3.10 ALOGPS logs -4.84 ALOGPS solubility 6.53e-03 g/l ALOGPS logp 3.2 ChemAxon pka_strongest_acidic 11.35 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 5,11-dihydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17(22),18,20-pentaen-8-one ChemAxon average_mass 451.5546 ChemAxon mono_mass 451.235873171 ChemAxon smiles CC(C)(O)C1OC2(O)CCC3(C)C4(C)C(CC5=C4NC4=C5C=CC=C4)CCC3(O)C2=CC1=O ChemAxon formula C27H33NO5 ChemAxon inchi InChI=1S/C27H33NO5/c1-23(2,30)22-19(29)14-20-26(31)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,32)33-22/h5-8,14-15,22,28,30-32H,9-13H2,1-4H3 ChemAxon inchikey ROIDNUNHRGMTMG-UHFFFAOYSA-N ChemAxon polar_surface_area 102.78 ChemAxon refractivity 124.79 ChemAxon polarizability 50.67 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21061 Specdb::CMs 47046 Specdb::CMs 174563 Specdb::MsMs 312877 Specdb::MsMs 312878 Specdb::MsMs 312879 Specdb::MsMs 358240 Specdb::MsMs 358241 Specdb::MsMs 358242 Specdb::MsMs 3051542 Specdb::MsMs 3051543 Specdb::MsMs 3051544 Specdb::MsMs 3119671 Specdb::MsMs 3119672 Specdb::MsMs 3119673 HMDB40978 #<Reference:0x000055ce32b443e8>