Desmosflavone
PubChem CID: 369598
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Desmosflavone, NSC641479, 14004-56-9, 5-Hydroxy-7-methoxy-6,8-dimethylflavon, 5-Hydroxy-7-methoxy-6,8-dimethylflavone, 5-Hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-4-one, 5-Hydroxy-7-methoxy-6,8-di-C-methylflavone, CHEMBL51162, 5-hydroxy-7-methoxy-6,8-dimethyl-2-phenylchromen-4-one, DTXSID40327283, CHEBI:137835, LMPK12110174, NSC-641479, NCI60_014033, 5-Hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-chromen-4-one, 5-Hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | COccC)coccc=O)c6cc%10C))O)))))cccccc6 |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Flavonoids |
| Description | Constituent of Leptospermum scoparium (red tea). Desmosflavone is found in tea. |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | O-methylated flavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-7-methoxy-6,8-dimethyl-2-phenylchromen-4-one |
| Class | Flavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 4.1 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | O-methylated flavonoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H16O4 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Inchi Key | PQZXFPBMXPGZMO-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 5-Hydroxy-7-methoxy-6,8-di-C-methylflavone, 5-Hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one, 5-Hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-4-one, 5-Hydroxy-7-methoxy-6,8-dimethylflavon, 5-Hydroxy-7-methoxy-6,8-dimethylflavone, Desmosflavone, desmosflavone |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cO, cOC, coc |
| Compound Name | Desmosflavone |
| Kingdom | Organic compounds |
| Exact Mass | 296.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 296.3 |
| 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/C18H16O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-9,20H,1-3H3 |
| Smiles | CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=CC=C3)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | 7-O-methylated flavonoids |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Boswellia Spp (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Chlorophytum Spp (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Desmos Chinensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Desmos Cochinchinensis (Plant) Rel Props:Reference:ISBN:9788185042145 - 5. Outgoing r'ship
FOUND_INto/from Desmos Dumosa (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Desmos Longiflorus (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Mussanda Spp (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Piper Spp (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Salvia Spp (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Unona Desmos (Plant) Rel Props:Reference: