1.0 2010-04-08 22:13:47 UTC 2025-11-19 02:12:14 UTC FDB018558 (S)-Neomammein Constituent of Mammea americana (mamey) seeds. (S)-Neomammein is found in fruits. C22H28O5 372.4547 372.193674006 5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-8-(2-methylbutanoyl)-4-propyl-2H-chromen-2-one 5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-8-(2-methylbutanoyl)-4-propylchromen-2-one 5022-20-8 CCCC1=CC(=O)OC2=C1C(O)=C(CC=C(C)C)C(O)=C2C(=O)C(C)CC InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-17(14)20(25)15(10-9-12(3)4)21(26)18(22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3 FSOGIJPGPZWNGO-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton. 7-hydroxycoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Aromatic heteropolycyclic compounds 1-benzopyrans Aryl alkyl ketones Butyrophenones Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 7-hydroxycoumarin Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Butyrophenone Heteroaromatic compound Hydrocarbon derivative Ketone Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Vinylogous acid logp 4.42 ALOGPS logs -4.42 ALOGPS solubility 1.41e-02 g/l ALOGPS melting_point Mp 122° logp 5.99 ChemAxon pka_strongest_acidic 5.88 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-8-(2-methylbutanoyl)-4-propyl-2H-chromen-2-one ChemAxon average_mass 372.4547 ChemAxon mono_mass 372.193674006 ChemAxon smiles CCCC1=CC(=O)OC2=C1C(O)=C(CC=C(C)C)C(O)=C2C(=O)C(C)CC ChemAxon formula C22H28O5 ChemAxon inchi InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-17(14)20(25)15(10-9-12(3)4)21(26)18(22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3 ChemAxon inchikey FSOGIJPGPZWNGO-UHFFFAOYSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 107.44 ChemAxon polarizability 41.82 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23602 Specdb::CMs 46238 Specdb::CMs 130957 Specdb::CMs 138691 Specdb::MsMs 64086 Specdb::MsMs 64087 Specdb::MsMs 64088 Specdb::MsMs 121146 Specdb::MsMs 121147 Specdb::MsMs 121148 Specdb::MsMs 2661475 Specdb::MsMs 2661476 Specdb::MsMs 2661477 Specdb::MsMs 3021288 Specdb::MsMs 3021289 Specdb::MsMs 3021290 HMDB39060 #<Reference:0x000055ce3175a490> Fruits Unknown generic