2'-Hydroxy-3,4,4',6'-tetramethoxy dihydrochalcone
PubChem CID: 129847722
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2'-hydroxy-3,4,4',6'-tetramethoxy dihydrochalcone |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CCC1CCCCC1)C1CCCCC1 |
| Np Classifier Class | Chalcones |
| Deep Smiles | COcccO)ccc6)OC)))C=O)C=CCC=CC=CC6)OC)))OC |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | OC(CCC1CCCCC1)C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 550.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4,5-dimethoxycyclohexa-2,4-dien-1-yl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H22O6 |
| Scaffold Graph Node Bond Level | O=C(C=CC1C=CC=CC1)c1ccccc1 |
| Inchi Key | IVTZGXGISGJYLH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | 2'-hydroxy-3,4,4',6'-tetramethoxy dihydrochalcone |
| Esol Class | Soluble |
| Functional Groups | COC1=C(OC)CCC=C1, cC(=O)C=CC, cO, cOC |
| Compound Name | 2'-Hydroxy-3,4,4',6'-tetramethoxy dihydrochalcone |
| Exact Mass | 346.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 346.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H22O6/c1-22-13-10-15(21)19(18(11-13)25-4)14(20)7-5-12-6-8-16(23-2)17(9-12)24-3/h5-8,10-12,21H,9H2,1-4H3 |
| Smiles | COC1=C(C=CC(C1)C=CC(=O)C2=C(C=C(C=C2OC)OC)O)OC |
| 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 Garcinia Nervosa (Plant) Rel Props:Reference:ISBN:9788187748090