Dracorhodin
PubChem CID: 69509
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| Compound Synonyms | Dracorhodin, 643-56-1, 5-Methoxy-6-methyl-2-phenyl-7H-chromen-7-one, 5-methoxy-6-methyl-2-phenylchromen-7-one, C.I. 75210, C4TSX5M53X, 7H-1-Benzopyran-7-one, 5-methoxy-6-methyl-2-phenyl-, NSC 234485, NSC-234485, DTXSID20214526, 5-Methoxy-6-methyl-2-phenyl-7H-1-benzopyran-7-one, UNII-C4TSX5M53X, CHEMBL486600, DTXCID50137017, HY-N4081, NSC234485, AKOS030559703, DA-72908, FD145231, CS-0032075, 5-Methoxy-6-methyl-2-phenyl-7H-chromen-7-one #, 7H-1-Benzopyran-7-one, 5-methoxy-6-methyl-2-phenyl-(8CI), 7H-1-Benzopyran-7-one, 5-methoxy-6-methyl-2-phenyl-(8CI)(9CI) |
|---|---|
| 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 | COcc-coccc6))cccccc6))))))))cc=O)c6C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CCC2CCC(C3CCCCC3)OC2C1 |
| Classyfire Subclass | O-methylated flavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 555.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-6-methyl-2-phenylchromen-7-one |
| Class | Flavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.7 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | O-methylated flavonoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H14O3 |
| Scaffold Graph Node Bond Level | O=c1ccc2ccc(-c3ccccc3)oc-2c1 |
| Inchi Key | UCZJPQIEFFTIEV-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 5-Methoxy-6-methyl-2-phenyl-7H-1-benzopyran-7-one, Dracorhodin perchlorate, dracorhodin |
| Esol Class | Soluble |
| Functional Groups | c=O, cOC, coc |
| Compound Name | Dracorhodin |
| Kingdom | Organic compounds |
| Exact Mass | 266.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 266.29 |
| 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/C17H14O3/c1-11-14(18)10-16-13(17(11)19-2)8-9-15(20-16)12-6-4-3-5-7-12/h3-10H,1-2H3 |
| Smiles | CC1=C(C2=CC=C(OC2=CC1=O)C3=CC=CC=C3)OC |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | 5-O-methylated flavonoids |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
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