5-Hydroxyanthranilic acid
PubChem CID: 164592
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| Compound Synonyms | 2-Amino-5-hydroxybenzoic acid, 5-Hydroxyanthranilic acid, 394-31-0, Diabeton, Benzoic acid, 2-amino-5-hydroxy-, MFCD00007870, UF9WW3I410, hydroxyanthranilic acid, 5-Hydroxyanthranillic acid, benzoic acid, 2-amino-5-hydroxy, DTXSID70192587, 5-OXYANTHRANILIC ACID [WHO-DD], 5-HYDROXYANTHRANILIC ACID [WHO-DD], 2-Amino-5-hydroxy benzoic acid, UNII-UF9WW3I410, 2-Amino-5-hydroxybenzoicAcid, 2-amino-5-hydroxy-benzoic acid, 5-hydroxy anthranilic acid, 5-OXYANTHRANILIC ACID, SCHEMBL258366, DTXCID10115078, 2-Aminobenzoic acid, 5-hydroxy-, CHEBI:181437, STR05656, BBL027665, STK711094, 2-Amino-5-hydroxybenzoic acid, 98%, AKOS000119773, AC-2893, CS-W002035, FH24309, HY-W002035, PS-3259, SB75741, SY003280, DB-020472, H0631, EN300-19513, C22371, 10.14272/HYNQTSZBTIOFKH-UHFFFAOYSA-N.1, AN-584/43417488, doi:10.14272/HYNQTSZBTIOFKH-UHFFFAOYSA-N.1, Q27291057, F0001-1107, Z104474092, 2-Amino-5-hydroxybenzoic acid, 2-Amino-5-hydroxy-benzoic acid, Glyklaside, 628-812-6 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 83.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Simple phenolic acids |
| Deep Smiles | Occcccc6)C=O)O)))N |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 160.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-5-hydroxybenzoic acid |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H7NO3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | HYNQTSZBTIOFKH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 5-hydroxyanthranilic acid |
| Esol Class | Very soluble |
| Functional Groups | cC(=O)O, cN, cO |
| Compound Name | 5-Hydroxyanthranilic acid |
| Exact Mass | 153.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 153.043 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 153.14 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H7NO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,8H2,(H,10,11) |
| Smiles | C1=CC(=C(C=C1O)C(=O)O)N |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenolic acids (C6-C1) |
- 1. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/12537428