1.0 2010-04-08 22:10:04 UTC 2019-11-26 03:06:29 UTC FDB012263 Cristacarpin Isolated from Psophocarpus tetragonolobus (winged bean). Cristacarpin is found in winged bean and pulses. 3,6a-Dihydroxy-9-methoxy-10-prenylpterocarpan Cristacarpin Erythrabyssin I C21H22O5 354.3964 354.146723814 14-methoxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,10-diol 14-methoxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,10-diol 74515-47-2 COC1=C(CC=C(C)C)C2=C(C=C1)C1(O)COC3=C(C=CC(O)=C3)C1O2 InChI=1S/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3 ZHPYEBFYLDGZKF-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 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Benzofurans Coumarans Hydrocarbon derivatives Isoflavanols Oxacyclic compounds Tertiary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Chromane Coumaran Ether Hydrocarbon derivative Isoflavan Isoflavanol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pterocarpan Tertiary alcohol logp 3.19 ALOGPS logs -3.91 ALOGPS solubility 4.37e-02 g/l ALOGPS logp 3.58 ChemAxon pka_strongest_acidic 9.41 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 14-methoxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,10-diol ChemAxon average_mass 354.3964 ChemAxon mono_mass 354.146723814 ChemAxon smiles COC1=C(CC=C(C)C)C2=C(C=C1)C1(O)COC3=C(C=CC(O)=C3)C1O2 ChemAxon formula C21H22O5 ChemAxon inchi InChI=1S/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3 ChemAxon inchikey ZHPYEBFYLDGZKF-UHFFFAOYSA-N ChemAxon polar_surface_area 68.15 ChemAxon refractivity 98.39 ChemAxon polarizability 38.25 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19745 Specdb::CMs 43660 Specdb::CMs 154318 Specdb::MsMs 67536 Specdb::MsMs 67537 Specdb::MsMs 67538 Specdb::MsMs 125382 Specdb::MsMs 125383 Specdb::MsMs 125384 Specdb::MsMs 2291208 Specdb::MsMs 2291209 Specdb::MsMs 2291210 Specdb::MsMs 2643540 Specdb::MsMs 2643541 Specdb::MsMs 2643542 HMDB34025 #<Reference:0x000055ce32dff100> Pulses Unknown generic Winged bean Type 1 specific Psophocarpus tetragonolobus 3891