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Moracin M

PubChem CID: 185848

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Compound Synonyms Moracin M, Veraphenol, 56317-21-6, 5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol, 5-(6-Hydroxybenzofuran-2-yl)benzene-1,3-diol, 5-(6-Hydroxy-benzofuran-2-yl)-benzene-1,3-diol, UNII-L9FI83128D, 6,3',5'-Trihydroxy-2-phenylbenzofuran, CHEMBL512578, DTXSID20204861, L9FI83128D, 5-(6-Hydroxy-2-benzofuranyl)-1,3-Benzenediol, 1,3-benzenediol, 5-(6-hydroxy-2-benzofuranyl)-, 5-(6-hydroxy-1-benzofuran-2-yl)-1,3-benzenediol, 5-(6-Hydroxy-2-benzofuranyl)-1,3-benzenediol, 9CI, MoracinM, Moracin M?, 2-(3,5-Dihydroxyphenyl)-6-hydroxybenzofuran, MLS000697562, SCHEMBL1740981, GTPL13466, DTXCID50127352, CHEBI:174251, LHPRYOJTASOZGJ-UHFFFAOYSA-N, HMS2269O04, BDBM50250915, AKOS022661579, 3',5',6-trihydroxy-2-phenylbenzofuran, NCGC00247527-01, MS-23421, SMR000470919, HY-122942, CS-0090595, E80738, 5-(6-hydroxy-1-benzouran-2-yl)benzene-1,3-diol, Q15634179
Topological Polar Surface Area 73.8
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 18.0
Description Isolated from Morus alba (white mulberry) infected with Fusarium solani. Moracin M is found in fruits.
Isotope Atom Count 0.0
Molecular Complexity 286.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P22309, P11511, P23219, P35354, Q99814, Q16665, n.a., Q63470, O89049, Q08499, Q07343, O76074, O76083, Q9H0H5, P17405, Q9NUW8, Q9HCT0, Q8WZA2, Q03431, P00591, P05067, P14679
Iupac Name 5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
Prediction Hob 1.0
Class 2-arylbenzofuran flavonoids
Target Id NPT30, NPT31, NPT1464, NPT4735, NPT741
Xlogp 2.9
Superclass Phenylpropanoids and polyketides
Molecular Formula C14H10O4
Prediction Swissadme 0.0
Inchi Key LHPRYOJTASOZGJ-UHFFFAOYSA-N
Fcsp3 0.0
Logs -3.355
Rotatable Bond Count 1.0
State Solid
Logd 3.038
Synonyms 1,3-Benzenediol, 5-(6-hydroxy-2-benzofuranyl)-, 5-(6-hydroxy-1-benzofuran-2-yl)-1,3-benzenediol, 5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol, 5-(6-Hydroxy-2-benzofuranyl)-1,3-benzenediol, 5-(6-Hydroxy-2-benzofuranyl)-1,3-benzenediol, 9CI, 5-(6-Hydroxy-benzofuran-2-yl)-benzene-1,3-diol, 5-(6-Hydroxybenzofuran-2-yl)benzene-1,3-diol, 6,3',5'-Trihydroxy-2-phenylbenzofuran, Moracin M, Veraphenol, 5-(6-Hydroxy-1-benzofuran-2-yl)-1,3-benzenediol, 5-(6-Hydroxy-1-benzofuran-2-yl)benzene-1,3-diol, 5-(6-Hydroxy-2-benzofuranyl)-1,3-benzenediol, 9ci, Moracin m
Substituent Name 2-arylbenzofuran flavonoid, Phenylbenzofuran, 2-phenylbenzofuran, Benzofuran, Resorcinol, Phenol, Benzenoid, Monocyclic benzene moiety, Heteroaromatic compound, Furan, Oxacycle, Organoheterocyclic compound, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound
Compound Name Moracin M
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 242.058
Formal Charge 0.0
Monoisotopic Mass 242.058
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 242.23
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Esol -3.732092666666667
Inchi InChI=1S/C14H10O4/c15-10-2-1-8-5-13(18-14(8)7-10)9-3-11(16)6-12(17)4-9/h1-7,15-17H
Smiles C1=CC2=C(C=C1O)OC(=C2)C3=CC(=CC(=C3)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent 2-arylbenzofuran flavonoids