5-Methoxy-2-phenyl-7H-1-benzopyran-7-one
PubChem CID: 610735
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| Compound Synonyms | 5-Methoxy-2-phenyl-7H-1-benzopyran-7-one, 35290-21-2, Nordracorhodin, nordacorhodin, 7H-1-Benzopyran-7-one, 5-methoxy-2-phenyl-, CHEMBL486389, VWNVDXRJGNLURQ-UHFFFAOYSA-N, 5-Methoxy-2-phenyl-7H-chromen-7-one #, DB-263602 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CCC(C3CCCCC3)CC2C1 |
| Np Classifier Class | Flavones |
| Deep Smiles | COccc=O)cc-c6ccco6)cccccc6 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CCC2CCC(C3CCCCC3)OC2C1 |
| Classyfire Subclass | O-methylated flavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 514.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-2-phenylchromen-7-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H12O3 |
| Scaffold Graph Node Bond Level | O=c1ccc2ccc(-c3ccccc3)oc-2c1 |
| Inchi Key | VWNVDXRJGNLURQ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | nordracorhodin |
| Esol Class | Soluble |
| Functional Groups | c=O, cOC, coc |
| Compound Name | 5-Methoxy-2-phenyl-7H-1-benzopyran-7-one |
| Exact Mass | 252.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 252.26 |
| 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/C16H12O3/c1-18-15-9-12(17)10-16-13(15)7-8-14(19-16)11-5-3-2-4-6-11/h2-10H,1H3 |
| Smiles | COC1=CC(=O)C=C2C1=CC=C(O2)C3=CC=CC=C3 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Daemonorops Draco (Plant) Rel Props:Source_db:npass_chem_all