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Name |
7-Amino-4-methylcoumarin
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Molecular Formula | C10H9NO2 | |
IUPAC Name* |
7-amino-4-methylchromen-2-one
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SMILES |
CC1=CC(=O)OC2=C1C=CC(=C2)N
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InChI |
InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3
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InChIKey |
GLNDAGDHSLMOKX-UHFFFAOYSA-N
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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; Coumarin 440; 7-amino-4-methyl-2H-1-Benzopyran-2-one; MFCD00006868; OCY3JCT44X; 7-amino-4-methyl coumarin; 7-amino-4-methyl-coumarin; MLS000057660; C10H9NO2; CHEBI:51771; NSC45796; NSC-45796; SMR000067752; (4-Methyl-2-oxo-2H-chromen-7-yl)amine; C 120; CCRIS 4961; EINECS 247-454-8; UNII-OCY3JCT44X; NSC 45796; MCM; NH2Mec; Coumarin 120; AMC; 7-Amino-4-methycoumarin; Maybridge1_002279; 7-amino-4-methylcoumarine; MolMap_000069; 4-methyl-7-amino-coumarin; 7-AMC; Oprea1_663585; SCHEMBL37677; cid_92249; CHEMBL270672; BDBM71742; HMS547P13; ZINC57949; DTXSID40885333; 7-Amino-4-methylcoumarin, 99%; 7-azanyl-4-methyl-chromen-2-one; HMS2343I18; HMS3604G16; HY-D0027; AM9859; HB0694; STK290900; 7-amino-4-methyl-1-benzopyran-2-one; AKOS000308736; CS-W008774; DB08168; PS-6205; SDCCGMLS-0028516.P002; 7-Amino-4-methyl-2H-chromen-2-one #; AC-23087; SY009093; EU-0033321; FT-0621347; FT-0621348; M0760; EN300-05587; A-6591; C01386; 7-Amino-4-methylcoumarin - CAS 26093-31-2; SR-01000597170; J-100007; SR-01000597170-1; 7-Amino-4-methylcoumarin, Chromophore for substrates; Q27097396; Z57024337; 5-{[(4-chlorophenyl)amino]sulfonyl}-3-methyl-N-[3-(trifluoromethyl)benzyl]-1H-pyrazole-4-carboxamide
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CAS | 26093-31-2 | |
PubChem CID | 92249 | |
ChEMBL ID | CHEMBL270672 |
Chemical Classification: |
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Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference | |
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Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference |
Bioactivity Name | Target ID | Target Name | Target Type | Target Organism | Target Organism ID | Potency of Bioactivity | Activity Type | Value | Unit | Endophyte ID | Endophyte Name | |
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Bioactivity Name | Target ID | Target Name | Target Type | Target Organism | Target Organism ID | Potency of Bioactivity | Activity Type | Value | Unit | Endophyte ID | Endophyte Name |
Molecular Weight: | 175.18 | ALogp: | 1.6 |
HBD: | 1 | HBA: | 3 |
Rotatable Bonds: | 0 | Lipinski's rule of five: | Accepted |
Polar Surface Area: | 52.3 | Aromatic Rings: | 2 |
Heavy Atoms: | 13 | QED Weighted: | 0.493 |
Caco-2 Permeability: | -4.801 | MDCK Permeability: | 0.00002540 |
Pgp-inhibitor: | 0.001 | Pgp-substrate: | 0.999 |
Human Intestinal Absorption (HIA): | 0.005 | 20% Bioavailability (F20%): | 0.79 |
30% Bioavailability (F30%): | 0.997 |
Blood-Brain-Barrier Penetration (BBB): | 0.279 | Plasma Protein Binding (PPB): | 77.88% |
Volume Distribution (VD): | 0.987 | Fu: | 32.31% |
CYP1A2-inhibitor: | 0.957 | CYP1A2-substrate: | 0.885 |
CYP2C19-inhibitor: | 0.392 | CYP2C19-substrate: | 0.169 |
CYP2C9-inhibitor: | 0.167 | CYP2C9-substrate: | 0.4 |
CYP2D6-inhibitor: | 0.07 | CYP2D6-substrate: | 0.856 |
CYP3A4-inhibitor: | 0.252 | CYP3A4-substrate: | 0.228 |
Clearance (CL): | 10.103 | Half-life (T1/2): | 0.334 |
hERG Blockers: | 0.07 | Human Hepatotoxicity (H-HT): | 0.172 |
Drug-inuced Liver Injury (DILI): | 0.728 | AMES Toxicity: | 0.309 |
Rat Oral Acute Toxicity: | 0.488 | Maximum Recommended Daily Dose: | 0.425 |
Skin Sensitization: | 0.736 | Carcinogencity: | 0.778 |
Eye Corrosion: | 0.459 | Eye Irritation: | 0.991 |
Respiratory Toxicity: | 0.639 |
Similar NPs | Similar Drugs | ||||||
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NPs ID | NPs 2D Structure | Similarity Score | TTD ID | Drug 2D Structure | Similarity Score | ||
ENC001539 | ![]() |
0.714 | D0FA2O | ![]() |
0.361 | ||
ENC001393 | ![]() |
0.482 | D0C4YC | ![]() |
0.300 | ||
ENC002806 | ![]() |
0.400 | D01WJL | ![]() |
0.300 | ||
ENC000078 | ![]() |
0.390 | D0G5UB | ![]() |
0.297 | ||
ENC001537 | ![]() |
0.389 | D0R9OH | ![]() |
0.297 | ||
ENC001561 | ![]() |
0.385 | D0S2BT | ![]() |
0.294 | ||
ENC001447 | ![]() |
0.358 | D08ZEB | ![]() |
0.288 | ||
ENC000982 | ![]() |
0.356 | D09TBD | ![]() |
0.288 | ||
ENC003861 | ![]() |
0.354 | D08GSF | ![]() |
0.281 | ||
ENC001381 | ![]() |
0.351 | D08SKH | ![]() |
0.281 |