1.0 2010-04-08 22:09:36 UTC 2018-05-28 22:27:27 UTC FDB011369 Mollicellin C Production by Chaetomium subspecies and mutagenic mycotoxin. Calcium, 2-ethylhexanoate Tall-oil Complexes C22H20O8 412.3894 412.115817616 7,14-dihydroxy-6-methoxy-4,12-dimethyl-5-(3-methylbut-2-enoyl)-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaene-15-carbaldehyde mollicellin C 68436-82-8 COC1=C(O)C2=C(OC3=C(C(C)=CC(O)=C3C=O)C(=O)O2)C(C)=C1C(=O)C=C(C)C InChI=1S/C22H20O8/c1-9(2)6-14(25)16-11(4)18-21(17(26)20(16)28-5)30-22(27)15-10(3)7-13(24)12(8-23)19(15)29-18/h6-8,24,26H,1-5H3 RPSLZGPKLQLZGH-UHFFFAOYSA-N belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). Depsides and depsidones Organic compounds Phenylpropanoids and polyketides Depsides and depsidones Aromatic heteropolycyclic compounds 1,4-dioxepines 1-hydroxy-2-unsubstituted benzenoids Acryloyl compounds Alkyl aryl ethers Anisoles Aryl ketones Aryl-aldehydes Carboxylic acid esters Diarylethers Enones Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Vinylogous acids 1,4-dioxepine 1-hydroxy-2-unsubstituted benzenoid Acryloyl-group Aldehyde Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic heteropolycyclic compound Aryl ketone Aryl-aldehyde Benzenoid Carboxylic acid derivative Carboxylic acid ester Depsidone Diaryl ether Dioxepine Enone Ether Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Vinylogous acid aldehyde aromatic ether aromatic ketone depsidones enone organic heterotricyclic compound polyphenol logp 3.28 ALOGPS logs -4.61 ALOGPS solubility 1.00e-02 g/l ALOGPS logp 5.18 ChemAxon pka_strongest_acidic 7.26 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 7,14-dihydroxy-6-methoxy-4,12-dimethyl-5-(3-methylbut-2-enoyl)-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaene-15-carbaldehyde ChemAxon average_mass 412.3894 ChemAxon mono_mass 412.115817616 ChemAxon smiles COC1=C(O)C2=C(OC3=C(C(C)=CC(O)=C3C=O)C(=O)O2)C(C)=C1C(=O)C=C(C)C ChemAxon formula C22H20O8 ChemAxon inchi InChI=1S/C22H20O8/c1-9(2)6-14(25)16-11(4)18-21(17(26)20(16)28-5)30-22(27)15-10(3)7-13(24)12(8-23)19(15)29-18/h6-8,24,26H,1-5H3 ChemAxon inchikey RPSLZGPKLQLZGH-UHFFFAOYSA-N ChemAxon polar_surface_area 119.36 ChemAxon refractivity 110.14 ChemAxon polarizability 41.23 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24927 Specdb::CMs 43251 Specdb::CMs 131050 Specdb::CMs 138784 Specdb::MsMs 104292 Specdb::MsMs 104293 Specdb::MsMs 104294 Specdb::MsMs 170535 Specdb::MsMs 170536 Specdb::MsMs 170537 Specdb::MsMs 2389489 Specdb::MsMs 2389490 Specdb::MsMs 2389491 Specdb::MsMs 2573600 Specdb::MsMs 2573601 Specdb::MsMs 2573602 HMDB33341 #<Reference:0x000055ce2ca5b518>