7-Amino-4-methylcoumarin
PubChem CID: 92249
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| Compound Synonyms | 7-Amino-4-methylcoumarin, 26093-31-2, Coumarin 120, 7-Amino-4-methyl-2H-chromen-2-one, 2H-1-Benzopyran-2-one, 7-amino-4-methyl-, 4-Methyl-7-aminocoumarin, Coumarin, 7-amino-4-methyl-, 7-AMINO-4-METHYL-CHROMEN-2-ONE, 7-amino-4-methylchromen-2-one, AMC, 7-amino-4-methyl-coumarin, Coumarin 440, CCRIS 4961, OCY3JCT44X, EINECS 247-454-8, MFCD00006868, NSC 45796, C10H9NO2, CHEBI:51771, 7-amino-4-methyl-2H-1-Benzopyran-2-one, NSC-45796, 7-amino-4-methyl coumarin, 7-AMC, (4-Methyl-2-oxo-2H-chromen-7-yl)amine, MLS000057660, C 120, DTXSID40885333, NSC45796, SMR000067752, UNII-OCY3JCT44X, MCM, coumarin C440, NH2Mec, 7Amino4methylcoumarin, 7-amino-4-methyl-1-benzopyran-2-one, Coumarin 120, AMC, Coumarin 120, AMC, Coumarin, 7amino4methyl, 7-Amino-4-methycoumarin, Maybridge1_002279, 7-amino-4-methylcoumarine, MolMap_000069, 4-methyl-7-amino-coumarin, Oprea1_663585, SCHEMBL37677, cid_92249, CHEMBL270672, 7-Amino-4-Methylcoumarin 98%, BDBM71742, HMS547P13, 2431_7-Amino-4-methylcoumarin, 7-Amino-4-methylcoumarin, 99%, 7-azanyl-4-methyl-chromen-2-one, C47M2, DTXCID001024718, HMS2343I18, HMS3604G16, MCA-3099-V, HY-D0027, HB0694, STK290900, AKOS000308736, CS-W008774, DB08168, FA00826, PS-6205, SDCCGMLS-0028516.P002, 7-Amino-4-methyl-2H-chromen-2-one #, AC-23087, SY009093, 2H-1-benzopyran-2-one, 7-amino-4-methyl, EU-0033321, M0760, NS00014430, EN300-05587, C01386, 7-Amino-4-methylcoumarin - CAS 26093-31-2, AH-034/06214034, SR-01000597170, SR-01000597170-1, 7-Amino-4-methylcoumarin, Chromophore for substrates, Q27097396, Z57024337, 247-454-8 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 52.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CCCCC2C1 |
| Np Classifier Class | Simple coumarins |
| Deep Smiles | Ncccccc6)oc=O)cc6C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Coumarins and derivatives |
| Scaffold Graph Node Level | OC1CCC2CCCCC2O1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 260.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9Y749 |
| Iupac Name | 7-amino-4-methylchromen-2-one |
| Class | Coumarins and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 1.6 |
| Superclass | Phenylpropanoids and polyketides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H9NO2 |
| Scaffold Graph Node Bond Level | O=c1ccc2ccccc2o1 |
| Inchi Key | GLNDAGDHSLMOKX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 7-Amino-4-methylcoumarin, conjugate monoacid, Coumarin C440, 4-Methyl-7-aminocoumarin, Coumarin 120, 7-amino-4-Methylcoumarin, 7-amino-4-methylcoumarin |
| Esol Class | Soluble |
| Functional Groups | c=O, cN, coc |
| Compound Name | 7-Amino-4-methylcoumarin |
| Kingdom | Organic compounds |
| Exact Mass | 175.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 175.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 175.18 |
| 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 |
| Inchi | InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3 |
| Smiles | CC1=CC(=O)OC2=C1C=CC(=C2)N |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Coumarins and derivatives |
| Np Classifier Superclass | Coumarins |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/18092158