5,6,7-trihydroxy-2-methyl-4H-chromen-4-one
PubChem CID: 52918154
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| Compound Synonyms | 5186-26-5, 5,6,7-trihydroxy-2-methyl-4H-chromen-4-one, CHEMBL1684147, DTXSID70680616, BDBM50338666, 5,6,7-Trihydroxy-2-methyl-4H-1-benzopyran-4-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCCC2CCCCC12 |
| Np Classifier Class | Chromones |
| Deep Smiles | CcocccO)ccc6c=O)c%10)))O))O |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Benzopyrans |
| Scaffold Graph Node Level | OC1CCOC2CCCCC12 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 311.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,6,7-trihydroxy-2-methylchromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H8O5 |
| Scaffold Graph Node Bond Level | O=c1ccoc2ccccc12 |
| Inchi Key | HEVICQKVVHUFCP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,2,6-trihydroxychromone |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | 5,6,7-trihydroxy-2-methyl-4H-chromen-4-one |
| Exact Mass | 208.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.037 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 208.17 |
| 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/C10H8O5/c1-4-2-5(11)8-7(15-4)3-6(12)9(13)10(8)14/h2-3,12-14H,1H3 |
| Smiles | CC1=CC(=O)C2=C(O1)C=C(C(=C2O)O)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Chromanes |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279