Glyzarin
PubChem CID: 44257206
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| Compound Synonyms | Glyzarin, UNII-IBR4B1Q1E5, IBR4B1Q1E5, 62820-28-4, 4H-1-Benzopyran-4-one, 8-acetyl-7-hydroxy-2-methyl-3-phenyl-, CHEBI:174784, DTXSID901194085, LMPK12050004, 8-Acetyl-7-hydroxy-2-methylisoflavone, 2-methyl-7-hydroxy-8-acetyl-isoflavone, 8-acetyl-7-hydroxy-2-methyl-3-phenylchromen-4-one, Q27280653, 8-Acetyl-7-hydroxy-2-methyl-3-phenyl-4H-1-benzopyran-4-one, 8-Acetyl-7-hydroxy-2-methyl-3-phenyl-4H-1-benzopyran-4-one, 9CI |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CCC1C1CCCCC1 |
| Np Classifier Class | Chromones |
| Deep Smiles | CcoccC=O)C))cO)ccc6c=O)c%10cccccc6 |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Isoflavonoids |
| Scaffold Graph Node Level | OC1C(C2CCCCC2)COC2CCCCC21 |
| Classyfire Subclass | Isoflav-2-enes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 501.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-acetyl-7-hydroxy-2-methyl-3-phenylchromen-4-one |
| Class | Isoflavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.4 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Isoflav-2-enes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H14O4 |
| Scaffold Graph Node Bond Level | O=c1c(-c2ccccc2)coc2ccccc12 |
| Inchi Key | KTCOGEGNUCOCON-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 8-Acetyl-7-hydroxy-2-methyl-3-phenyl-4H-1-benzopyran-4-one, 9ci, 8-Acetyl-7-hydroxy-2-methylisoflavone, glyzarin |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cC(C)=O, cO, coc |
| Compound Name | Glyzarin |
| Kingdom | Organic compounds |
| Exact Mass | 294.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 294.3 |
| 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/C18H14O4/c1-10(19)15-14(20)9-8-13-17(21)16(11(2)22-18(13)15)12-6-4-3-5-7-12/h3-9,20H,1-2H3 |
| Smiles | CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C(=O)C)C3=CC=CC=C3 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Isoflavones |
| Np Classifier Superclass | Chromanes |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:ISBN:9780896038776; ISBN:9788172363178