1.0 2010-04-08 22:11:03 UTC 2018-05-29 01:09:21 UTC FDB014041 Cytochalasin Ppho Production by Phomopsis species Cytochalasin P? Cytochalasin Ppho C30H41NO6 511.6496 511.293388049 3-benzyl-5,6,12-trihydroxy-4,5,10,12-tetramethyl-1-oxo-1H,2H,3H,4H,5H,6H,6aH,9H,10H,11H,12H,15H,15bH-cycloundeca[e]isoindol-15-yl acetate 3-benzyl-5,6,12-trihydroxy-4,5,10,12-tetramethyl-1-oxo-2H,3H,4H,6H,6aH,9H,10H,11H,15H,15bH-cycloundeca[e]isoindol-15-yl acetate 108050-27-7 CC1C2C(CC3=CC=CC=C3)NC(=O)C22C(\C=C\CC(C)CC(C)(O)\C=C/C2OC(C)=O)C(O)C1(C)O InChI=1S/C30H41NO6/c1-18-10-9-13-22-26(33)29(5,36)19(2)25-23(16-21-11-7-6-8-12-21)31-27(34)30(22,25)24(37-20(3)32)14-15-28(4,35)17-18/h6-9,11-15,18-19,22-26,33,35-36H,10,16-17H2,1-5H3,(H,31,34)/b13-9+,15-14- AVASIWUXPVFFGK-WISUYLHISA-N belongs to the class of organic compounds known as cytochalasans. These are fungal metabolites structurally characterized by the presence of an isoindolone nucleus fused to a macrocyclic ring, which can either a lactone, as in cytochalasin B, a carbonate, as in cytochalasin E, or a carbocycle, as in cytochalasin D, H, and K. Cytochalasans Organic compounds Alkaloids and derivatives Cytochalasans Aromatic heteropolycyclic compounds Azacyclic compounds Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Hydrocarbon derivatives Isoindoles Isoindolones Lactams Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Polyols Pyrrolidine-2-ones Secondary alcohols Secondary carboxylic acid amides Tertiary alcohols 2-pyrrolidone Alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Carbocyclic cytochalasan skeleton Carbonyl group Carboxamide group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cytochalasan Hydrocarbon derivative Isoindole Isoindole or derivatives Isoindoline Isoindolone Lactam Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Pyrrolidine Pyrrolidone Secondary alcohol Secondary carboxylic acid amide Tertiary alcohol logp 3.17 ALOGPS logs -4.55 ALOGPS solubility 1.43e-02 g/l ALOGPS melting_point Mp 117-118° logp 2.56 ChemAxon pka_strongest_acidic 13.37 ChemAxon pka_strongest_basic -0.35 ChemAxon iupac 3-benzyl-5,6,12-trihydroxy-4,5,10,12-tetramethyl-1-oxo-1H,2H,3H,4H,5H,6H,6aH,9H,10H,11H,12H,15H,15bH-cycloundeca[e]isoindol-15-yl acetate ChemAxon average_mass 511.6496 ChemAxon mono_mass 511.293388049 ChemAxon smiles CC1C2C(CC3=CC=CC=C3)NC(=O)C22C(\C=C\CC(C)CC(C)(O)\C=C/C2OC(C)=O)C(O)C1(C)O ChemAxon formula C30H41NO6 ChemAxon inchi InChI=1S/C30H41NO6/c1-18-10-9-13-22-26(33)29(5,36)19(2)25-23(16-21-11-7-6-8-12-21)31-27(34)30(22,25)24(37-20(3)32)14-15-28(4,35)17-18/h6-9,11-15,18-19,22-26,33,35-36H,10,16-17H2,1-5H3,(H,31,34)/b13-9+,15-14- ChemAxon inchikey AVASIWUXPVFFGK-WISUYLHISA-N ChemAxon polar_surface_area 116.09 ChemAxon refractivity 142.71 ChemAxon polarizability 56.14 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10734 Specdb::CMs 44356 Specdb::MsMs 75753 Specdb::MsMs 75754 Specdb::MsMs 75755 Specdb::MsMs 135453 Specdb::MsMs 135454 Specdb::MsMs 135455 Specdb::MsMs 2798057 Specdb::MsMs 2798058 Specdb::MsMs 2798059 Specdb::MsMs 2880854 Specdb::MsMs 2880855 Specdb::MsMs 2880856 HMDB35368 #<Reference:0x000055ce30664e10>