1.0 2010-04-08 22:10:04 UTC 2019-11-26 03:06:28 UTC FDB012249 Lathycarpin Phytoalexin from leaves of Lathyrus sativus (chickling pea). Lathycarpin is found in grass pea and pulses. 6a-Hydroxy-2,3-dimethoxy-8,9-methylenedioxypterocarpan Lathycarpin C18H16O7 344.3154 344.089602866 15,16-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13,15,17-hexaen-1-ol 15,16-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13,15,17-hexaen-1-ol 83159-18-6 COC1=C(OC)C=C2C3OC4=CC5=C(OCO5)C=C4C3(O)COC2=C1 InChI=1S/C18H16O7/c1-20-13-3-9-11(5-14(13)21-2)22-7-18(19)10-4-15-16(24-8-23-15)6-12(10)25-17(9)18/h3-6,17,19H,7-8H2,1-2H3 OPUNZSMLSXSMJN-UHFFFAOYSA-N belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Pterocarpans Organic compounds Phenylpropanoids and polyketides Isoflavonoids Furanoisoflavonoids Aromatic heteropolycyclic compounds 1-benzopyrans Acetals Alkyl aryl ethers Anisoles Benzodioxoles Benzofurans Coumarans Hydrocarbon derivatives Isoflavanols Oxacyclic compounds Tertiary alcohols 1-benzopyran Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzofuran Benzopyran Chromane Coumaran Ether Hydrocarbon derivative Isoflavan Isoflavanol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pterocarpan Tertiary alcohol Pterocarpans logp 2.37 ALOGPS logs -2.77 ALOGPS solubility 5.90e-01 g/l ALOGPS logp 1.62 ChemAxon pka_strongest_acidic 11.96 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 15,16-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13,15,17-hexaen-1-ol ChemAxon average_mass 344.3154 ChemAxon mono_mass 344.089602866 ChemAxon smiles COC1=C(OC)C=C2C3OC4=CC5=C(OCO5)C=C4C3(O)COC2=C1 ChemAxon formula C18H16O7 ChemAxon inchi InChI=1S/C18H16O7/c1-20-13-3-9-11(5-14(13)21-2)22-7-18(19)10-4-15-16(24-8-23-15)6-12(10)25-17(9)18/h3-6,17,19H,7-8H2,1-2H3 ChemAxon inchikey OPUNZSMLSXSMJN-UHFFFAOYSA-N ChemAxon polar_surface_area 75.61 ChemAxon refractivity 84.4 ChemAxon polarizability 34.63 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 81261 Specdb::MsMs 81262 Specdb::MsMs 81263 Specdb::MsMs 142323 Specdb::MsMs 142324 Specdb::MsMs 142325 Specdb::MsMs 2785972 Specdb::MsMs 2785973 Specdb::MsMs 2785974 Specdb::MsMs 2922907 Specdb::MsMs 2922908 Specdb::MsMs 2922909 Specdb::CMs 10528 Specdb::CMs 43648 Specdb::CMs 152135 HMDB34013 #<Reference:0x000055ce319bb3d8> Grass pea Type 1 specific Lathyrus sativus 3860 Pulses Unknown generic