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Hymecromone

PubChem CID: 5280567

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Compound Synonyms 4-methylumbelliferone, Hymecromone, 90-33-5, 7-HYDROXY-4-METHYLCOUMARIN, 7-Hydroxy-4-methyl-2H-chromen-2-one, Imecromone, Cantabiline, Cholestil, Mendiaxon, beta-Methylumbelliferone, 4-Methyl-7-hydroxycoumarin, Bilcolic, Bilicante, Cantabilin, Coumarin 4, Cholonerton, Hymecromon, Resocyanine, Crodimon, Eurogale, Medilla, 4-MU, Cumarote-C, 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-, Himecromona, 4-Methylumbelliferon, Omega 127, Pilot 447, 7-hydroxy-4-methylchromen-2-one, Hymecromonum, 7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran, Hymecromonum [INN-Latin], Himecromona [INN-Spanish], LM 94, LM-94, 7-hydroxy-4-methyl-chromen-2-one, NSC 9408, 4 Methylumbelliferone, 7-hydroxy-4-methyl-coumarin, MFCD00006866, NSC 19026, 7-Hydroxy-4-methyl-2H-1-benzopyran-2-one, CCRIS 5926, 79566-13-5, Coumarin, 7-hydroxy-4-methyl-, .beta.-Methylumbelliferone, NSC-9408, EINECS 201-986-7, Cantabiline (TN), NSC-19026, 7-hydroxy-4-methyl coumarin, 2H-1-Benzopyran, 7-hydroxy-4-methyl-2-oxo-, 2H-1-Benzopyren-2-one, 7-hydroxy-4-methyl-, 4-Methyl-7-hydroxy-coumarin, 7-Hydroxy-4-methyl-2-oxo-3-chromene, BRN 0142217, 4-Methylumbelliferone (4-MU), DTXSID8025670, CHEBI:17224, AI3-08085, NSC9408, 3T5NG4Q468, Hymecromone [USAN:INN:BAN:JAN], NSC19026, HYMECROMONE [MI], HYMECROMONE [INN], HYMECROMONE [JAN], HYMECROMONE [USAN], 2-Hydroxy-4-methyl-7H-chromen-7-one, Methylumbelliferone, .beta., HYMECROMONE [MART.], HYMECROMONE [WHO-DD], CHEMBL12208, DTXCID805670, METHYLUMBELLIFERONE, BETA, 7H-1-Benzopyran-7-one, 2-hydroxy-4-methyl-, HYMECROMONE [EP MONOGRAPH], 5-18-01-00439 (Beilstein Handbook Reference), CAS-90-33-5, NCGC00016345-01, Hymecromonum (INN-Latin), Himecromona (INN-Spanish), HYMECROMONE (MART.), Imecromone [DCIT], WLN: T66 BOVJ E1 IQ, Cholspasmin, Hymechrome, HYMECROMONE (EP MONOGRAPH), SMR000471886, 4-Methylumbelliferon [Czech], 7 Hydroxy 4 methyl coumarin, Himecol, CumaroteC, UNII-3T5NG4Q468, Biliton H, Hymecromohe,(S), 4methylumbelliferon, 4methylumbelliferone, 4MU, ZZ1, A-Methylumbelliferone, betaMethylumbelliferone, 4-methyl umbelliferone, 4-Methyl-umbelliferone, 4Methyl7hydroxycoumarin, 7Hydroxy4methylcoumarin, Umbelliferone, 4methyl, Coumarin derivative, 3b, Maybridge1_002078, Prestwick0_000901, Prestwick1_000901, Prestwick2_000901, Prestwick3_000901, Coumarin, 7hydroxy4methyl, Umbelliferone, 4-methyl-, 4-methyl-7-hydroxy-cumarin, 7-hydroxy-4-methyl-coumari, 7Hydroxy4methyl2oxo3chromene, SCHEMBL24150, BSPBio_000742, 7-hydroxy-4-methyl coumarine, MLS001074671, MLS004491718, 4-Methyl-7-hydroxyl Coumarin, SPBio_002941, BPBio1_000818, MEGxp0_001898, 7-hydroxy-4-methyl-2-coumarin, 4-Methylumbelliferone, >=98%, ACon1_002401, cid_5280567, HMS547G10, HY-N0187R, Hymecromone (JP18/USAN/INN), 4-Methylumbelliferone (Standard), 7Hydroxy4methyl2H1benzopyran2one, 7Hydroxy4methyl2oxo2H1benzopyran, A05AX02, 7Hydroxy4methyl2,H1benzopyran2one, GLXC-10598, HMS1570F04, HMS2097F04, HMS2267L19, HMS3264E04, HMS3655L16, HMS3714F04, IM 94, Pharmakon1600-01506174, ALBB-036660, BCP06770, HY-N0187, 2H1Benzopyran, 7hydroxy4methyl2oxo, 2H1Benzopyran2one, 7hydroxy4methyl, Tox21_110385, Tox21_300915, BBL000531, BDBM50022178, CCG-47894, NSC760397, s2256, STK364326, 7-Hydroxy-4-methyl-2H-2-chromenone, AKOS000119370, Tox21_110385_1, CS-7560, DB07118, EM16008, FM00596, NSC-760397, NCGC00016345-02, NCGC00016345-03, NCGC00016345-04, NCGC00016345-05, NCGC00016345-08, NCGC00016345-09, NCGC00169880-01, NCGC00169880-02, NCGC00257522-01, 2H-Chromen-2-one, 7-hydroxy-4-methyl-, 7-Hydroxy-4-methyl-2H-chromen-2-one #, AC-22306, AS-13247, NCI60_042099, SY017941, DB-029370, AB00443536, Hymecromone, 7-Hydroxy-4-methylcoumarin, 4-MU, M0453, NS00010646, SW197287-3, EN300-16753, C03081, D00170, D70647, 7-Hydroxy-4-methylcoumarin, 4-Methylumbelliferone, AB00443536_08, AE-848/01238044, Q904431, SR-01000637483, SR-01000637483-1, SR-01000637483-3, 7-HYDROXY-4-METHYL-2,H-1-BENZO-PYRAN-2-ONE, BRD-K46424862-001-02-6, BRD-K46424862-001-04-2, BRD-K46424862-001-14-1, BRD-K46424862-001-15-8, Z56763041, F0849-0318, F1918-0038, Acetic acid 4-methylumbelliferyl ester, 7-Acetoxy-4-methylcoumarin, 201-986-7
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 46.5
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCC2CCCCC2C1
Np Classifier Class Simple coumarins
Deep Smiles Occcccc6)oc=O)cc6C
Heavy Atom Count 13.0
Classyfire Class Coumarins and derivatives
Scaffold Graph Node Level OC1CCC2CCCCC2O1
Classyfire Subclass Hydroxycoumarins
Isotope Atom Count 0.0
Molecular Complexity 257.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P22309, P23141, O00748, P10768, P07943, P27338, P37058, Q53685, P15121, Q00796, P19838, P02545, Q99714, B2RXH2, P55210, P00352, P10253, P02791, P15428, P29466, P06280, P11712, P04062, Q92830, P05177, O95149, P83916, O89049, Q9HAW8, P35503, P22310, P19224, Q9HAW7, Q9HAW9, O60656, Q9Y4X1, P36537, P54855, O75795, P06133, P16662, n.a., P00915, P00918, Q16790, O43570, O75496, Q99700, O42275, P81908, Q9NUW8, P05067, P54803, P0DTD1, Q07820, P10275, Q16236, Q03181, P04792
Iupac Name 7-hydroxy-4-methylchromen-2-one
Prediction Hob 1.0
Class Coumarins and derivatives
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Target Id NPT582, NPT958, NPT41, NPT1551, NPT163, NPT483, NPT149, NPT48, NPT1226, NPT94, NPT60, NPT151, NPT277, NPT501, NPT212, NPT208, NPT948, NPT949, NPT901, NPT57
Xlogp 1.9
Superclass Phenylpropanoids and polyketides
Subclass Hydroxycoumarins
Gsk 4 400 Rule True
Molecular Formula C10H8O3
Scaffold Graph Node Bond Level O=c1ccc2ccccc2o1
Prediction Swissadme 0.0
Inchi Key HSHNITRMYYLLCV-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.1
Logs -2.777
Rotatable Bond Count 0.0
State Solid
Logd 0.812
Synonyms 4-Methyl-7-hydroxycoumarin, 4-MU, 7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran, 7-Hydroxy-4-methyl-2-oxo-3-chromene, 7-Hydroxy-4-methyl-2H-1-benzopyran-2-one, 7-Hydroxy-4-methylcoumarin, beta-Methylumbelliferone, Himecromona, Hymecromone, Hymecromonum, Imecromone, Cantabiline, b-Methylumbelliferone, Β-methylumbelliferone, 4 Methylumbelliferone, Methylumbelliferone, Resocyanine, 7-Hydroxy-4-methyl-coumarin, Mendiaxon, 7 Hydroxy 4 methyl coumarin, Cholestil, 4-Methylumbelliferone, 7- hydroxy-4-methylcoumarin, 7-hydroxy-4-methyl coumarin, 7-hydroxy-4-methylcoumarin
Esol Class Soluble
Functional Groups c=O, cO, coc
Compound Name Hymecromone
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 176.047
Formal Charge 0.0
Monoisotopic Mass 176.047
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 176.17
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Lipinski Rule Of 5 True
Esol -1.9865909692307693
Inchi InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
Smiles CC1=CC(=O)OC2=C1C=CC(=C2)O
Nring 5.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent 7-hydroxycoumarins
Np Classifier Superclass Coumarins

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