1.0 2010-04-08 22:14:48 UTC 2019-11-26 03:18:28 UTC FDB020100 Grossamide Isolated from Capsicum annuum variety grossum. Grossamide is found in many foods, some of which are pepper (c. annuum), italian sweet red pepper, yellow bell pepper, and red bell pepper. (+-)-Grossamide Tribulusamide a C36H36N2O8 624.6796 624.247166138 2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(1E)-2-{[2-(4-hydroxyphenyl)ethyl]carbamoyl}eth-1-en-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide 2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(1E)-2-{[2-(4-hydroxyphenyl)ethyl]carbamoyl}eth-1-en-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide 80510-06-1 COC1=CC(\C=C\C(=O)NCCC2=CC=C(O)C=C2)=CC2=C1OC(C2C(=O)NCCC1=CC=C(O)C=C1)C1=CC(OC)=C(O)C=C1 InChI=1S/C36H36N2O8/c1-44-30-21-25(8-13-29(30)41)34-33(36(43)38-18-16-23-5-11-27(40)12-6-23)28-19-24(20-31(45-2)35(28)46-34)7-14-32(42)37-17-15-22-3-9-26(39)10-4-22/h3-14,19-21,33-34,39-41H,15-18H2,1-2H3,(H,37,42)(H,38,43)/b14-7+ DROXVBRNXCRUHP-VGOFMYFVSA-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 Alkyl aryl ethers Anisoles Benzofurans Carbonyl compounds Coumarans Hydrocarbon derivatives Lignans, neolignans and related compounds Methoxybenzenes Methoxyphenols Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Phenoxy compounds Secondary carboxylic acid amides Styrenes 1-hydroxy-2-unsubstituted benzenoid 2-arylbenzofuran flavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Carbonyl group Carboxamide group Carboxylic acid derivative Coumaran Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Neolignan skeleton Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenol Phenol ether Phenoxy compound Secondary carboxylic acid amide Styrene logp 4.26 ALOGPS logs -5.85 ALOGPS solubility 8.88e-04 g/l ALOGPS melting_point Mp 174-175° (133-135°) logp 4.81 ChemAxon pka_strongest_acidic 9.13 ChemAxon pka_strongest_basic 1.21 ChemAxon iupac 2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(1E)-2-{[2-(4-hydroxyphenyl)ethyl]carbamoyl}eth-1-en-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide ChemAxon average_mass 624.6796 ChemAxon mono_mass 624.247166138 ChemAxon smiles COC1=CC(\C=C\C(=O)NCCC2=CC=C(O)C=C2)=CC2=C1OC(C2C(=O)NCCC1=CC=C(O)C=C1)C1=CC(OC)=C(O)C=C1 ChemAxon formula C36H36N2O8 ChemAxon inchi InChI=1S/C36H36N2O8/c1-44-30-21-25(8-13-29(30)41)34-33(36(43)38-18-16-23-5-11-27(40)12-6-23)28-19-24(20-31(45-2)35(28)46-34)7-14-32(42)37-17-15-22-3-9-26(39)10-4-22/h3-14,19-21,33-34,39-41H,15-18H2,1-2H3,(H,37,42)(H,38,43)/b14-7+ ChemAxon inchikey DROXVBRNXCRUHP-VGOFMYFVSA-N ChemAxon polar_surface_area 146.58 ChemAxon refractivity 174.24 ChemAxon polarizability 67.25 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 313243 Specdb::MsMs 313244 Specdb::MsMs 313245 Specdb::MsMs 358693 Specdb::MsMs 358694 Specdb::MsMs 358695 Specdb::MsMs 2755411 Specdb::MsMs 2755412 Specdb::MsMs 2755413 Specdb::MsMs 2954337 Specdb::MsMs 2954338 Specdb::MsMs 2954339 Specdb::CMs 21232 Specdb::CMs 46754 Specdb::CMs 560560 Specdb::CMs 560561 Specdb::CMs 560562 Specdb::CMs 560563 Specdb::CMs 560564 Specdb::CMs 560565 Specdb::CMs 560566 Specdb::CMs 560567 Specdb::CMs 560568 Specdb::CMs 560569 Specdb::CMs 560570 Specdb::CMs 560571 Specdb::CMs 560572 Specdb::CMs 560573 Specdb::CMs 560574 Specdb::CMs 560575 Specdb::CMs 560576 Specdb::CMs 560577 Specdb::CMs 560578 Specdb::CMs 560579 Specdb::CMs 560580 Specdb::CMs 560581 Specdb::CMs 560582 HMDB40370 #<Reference:0x000055ce30cf2fe8> Green bell pepper Type 1 specific Capsicum annuum 4072 0.3 0.3 0.3 mg/100 g Herbs and Spices Unknown generic Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 0.3 0.3 0.3 mg/100 g Pepper Type 1 specific Capsicum annuum 4072 0.3 0.3 0.3 mg/100 g Red bell pepper Type 1 specific Capsicum annuum 4072 0.3 0.3 0.3 mg/100 g Yellow bell pepper Type 1 specific Capsicum annuum 4072 0.3 0.3 0.3 mg/100 g