1.0 2010-04-08 22:13:28 UTC 2025-11-19 02:08:15 UTC FDB018057 Cicerin Constituent of Cicer arietinum (chickpea). Cicerin is found in pulses. 2-Chloro-1-cyclopentanone 2-chloro-Cyclopentanone 2-Chlorocyclopentan-one 2-chlorocyclopentanone 5,7-Dihydroxy-2'-methoxy-4',5'-methylenedioxyisoflavanone Alpha-chlorocyclopentanone Cicerin Cyclopentanone, 2-chloro- C17H14O7 330.2889 330.073952802 5,7-dihydroxy-3-(6-methoxy-2H-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-1-benzopyran-4-one 5,7-dihydroxy-3-(6-methoxy-2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzopyran-4-one 12751-00-7 COC1=CC2=C(OCO2)C=C1C1COC2=CC(O)=CC(O)=C2C1=O InChI=1S/C17H14O7/c1-21-12-5-14-13(23-7-24-14)4-9(12)10-6-22-15-3-8(18)2-11(19)16(15)17(10)20/h2-5,10,18-19H,6-7H2,1H3 MNXNLFUKHPLPES-UHFFFAOYSA-N belongs to the class of organic compounds known as 2'-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C2' atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one. 2'-O-methylated isoflavonoids Organic compounds Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Aryl alkyl ketones Benzodioxoles Chromones Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Isoflavanones Organic oxides Oxacyclic compounds Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2p-methoxyisoflavonoid-skeleton Acetal Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzodioxole Benzopyran Chromane Chromone Ether Hydrocarbon derivative Hydroxyisoflavonoid Isoflavan Isoflavanol Isoflavanone Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Vinylogous acid logp 2.26 ALOGPS logs -3.08 ALOGPS solubility 2.78e-01 g/l ALOGPS logp 2.5 ChemAxon pka_strongest_acidic 7.91 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 5,7-dihydroxy-3-(6-methoxy-2H-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 330.2889 ChemAxon mono_mass 330.073952802 ChemAxon smiles COC1=CC2=C(OCO2)C=C1C1COC2=CC(O)=CC(O)=C2C1=O ChemAxon formula C17H14O7 ChemAxon inchi InChI=1S/C17H14O7/c1-21-12-5-14-13(23-7-24-14)4-9(12)10-6-22-15-3-8(18)2-11(19)16(15)17(10)20/h2-5,10,18-19H,6-7H2,1H3 ChemAxon inchikey MNXNLFUKHPLPES-UHFFFAOYSA-N ChemAxon polar_surface_area 94.45 ChemAxon refractivity 81.93 ChemAxon polarizability 31.71 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15232 Specdb::CMs 45957 Specdb::CMs 157728 Specdb::MsMs 74046 Specdb::MsMs 74047 Specdb::MsMs 74048 Specdb::MsMs 133338 Specdb::MsMs 133339 Specdb::MsMs 133340 Specdb::MsMs 2810342 Specdb::MsMs 2810343 Specdb::MsMs 2810344 Specdb::MsMs 2894750 Specdb::MsMs 2894751 Specdb::MsMs 2894752 HMDB38659 #<Reference:0x000055ce2f603af8> Pulses Unknown generic