1.0 2010-04-08 22:09:39 UTC 2019-11-26 03:04:57 UTC FDB011469 Moschamindole Isolated from safflower meal (Carthamus tinctorius). Moschamindole is found in safflower, fats and oils, and herbs and spices. Moschamindole C20H18N2O4 350.3679 350.126657074 3-(4-hydroxy-3-methoxyphenyl)-2-oxa-6,11-diazatetracyclo[7.5.2.0⁴,¹⁵.0¹²,¹⁶]hexadeca-1(15),9,12(16),13-tetraen-5-one 3-(4-hydroxy-3-methoxyphenyl)-2-oxa-6,11-diazatetracyclo[7.5.2.0⁴,¹⁵.0¹²,¹⁶]hexadeca-1(15),9,12(16),13-tetraen-5-one 99615-94-8 COC1=C(O)C=CC(=C1)C1OC2=C3C1C(=O)NCCC1=CNC(C=C2)=C31 InChI=1S/C20H18N2O4/c1-25-15-8-10(2-4-13(15)23)19-18-17-14(26-19)5-3-12-16(17)11(9-22-12)6-7-21-20(18)24/h2-5,8-9,18-19,22-23H,6-7H2,1H3,(H,21,24) GEJUXZYANAYHRZ-UHFFFAOYSA-N belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 2-arylbenzofuran flavonoids Organic compounds Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 3-alkylindoles Alkyl aryl ethers Anisoles Azacyclic compounds Coumarans Cyclic carboximidic acids Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Phenoxy compounds Propargyl-type 1,3-dipolar organic compounds Pyrroles 1-hydroxy-2-unsubstituted benzenoid 2-arylbenzofuran flavonoid 3-alkylindole Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Coumaran Cyclic carboximidic acid Ether Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenol Phenol ether Phenoxy compound Propargyl-type 1,3-dipolar organic compound Pyrrole logp 2.47 ALOGPS logs -3.66 ALOGPS solubility 7.61e-02 g/l ALOGPS melting_point Mp 282-284.5° dec. logp 2.11 ChemAxon pka_strongest_acidic 9.91 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 3-(4-hydroxy-3-methoxyphenyl)-2-oxa-6,11-diazatetracyclo[7.5.2.0⁴,¹⁵.0¹²,¹⁶]hexadeca-1(15),9,12(16),13-tetraen-5-one ChemAxon average_mass 350.3679 ChemAxon mono_mass 350.126657074 ChemAxon smiles COC1=C(O)C=CC(=C1)C1OC2=C3C1C(=O)NCCC1=CNC(C=C2)=C31 ChemAxon formula C20H18N2O4 ChemAxon inchi InChI=1S/C20H18N2O4/c1-25-15-8-10(2-4-13(15)23)19-18-17-14(26-19)5-3-12-16(17)11(9-22-12)6-7-21-20(18)24/h2-5,8-9,18-19,22-23H,6-7H2,1H3,(H,21,24) ChemAxon inchikey GEJUXZYANAYHRZ-UHFFFAOYSA-N ChemAxon polar_surface_area 83.58 ChemAxon refractivity 95.76 ChemAxon polarizability 36.75 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15769 Specdb::CMs 43288 Specdb::CMs 135536 Specdb::CMs 143270 Specdb::MsMs 76506 Specdb::MsMs 76507 Specdb::MsMs 76508 Specdb::MsMs 136356 Specdb::MsMs 136357 Specdb::MsMs 136358 Specdb::MsMs 2787583 Specdb::MsMs 2787584 Specdb::MsMs 2787585 Specdb::MsMs 2917559 Specdb::MsMs 2917560 Specdb::MsMs 2917561 HMDB33431 #<Reference:0x000055ce304e9248> Fats and oils Unknown generic Herbs and Spices Unknown generic Safflower Type 1 specific Carthamus tinctorius 4222