5,7-Dimethoxy-4'-hydroxyflavanone
PubChem CID: 5271551
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| Compound Synonyms | 5,7-Dimethoxy-4'-hydroxyflavanone, 26207-67-0, 2-(4-hydroxyphenyl)-5,7-dimethoxychroman-4-one, Naringenin 5,7-dimethyl ether, CHEMBL2299039, 2-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-5,7-dimethoxy-, SCHEMBL5085603, DTXSID40414920, REBBZOCNEVVAPX-UHFFFAOYSA-N, 4'-hydroxy-5,7-dimethoxyflavanone, BBA20767, 5,7-dimethoxy-4'-hydroxy flavanone, BDBM50488657, LMPK12140595, AKOS024285574, DB-046892, 2-(4-hydroxyphenyl)-5,7-dimethoxy-chroman-4-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavanones |
| Deep Smiles | COcccOCCC=O)c6cc%10)OC))))))cccccc6))O |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | O-methylated flavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 391.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H16O5 |
| Scaffold Graph Node Bond Level | O=C1CC(c2ccccc2)Oc2ccccc21 |
| Inchi Key | REBBZOCNEVVAPX-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 5,7-dimethoxy-4'-hydroxy flavanone, flavanone, 5,7-dimethoxy-4'-hydroxy |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O, cO, cOC |
| Compound Name | 5,7-Dimethoxy-4'-hydroxyflavanone |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H16O5/c1-20-12-7-15(21-2)17-13(19)9-14(22-16(17)8-12)10-3-5-11(18)6-4-10/h3-8,14,18H,9H2,1-2H3 |
| Smiles | COC1=CC2=C(C(=O)CC(O2)C3=CC=C(C=C3)O)C(=C1)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 Haldina Cordifolia (Plant) Rel Props:Reference:ISBN:9788172361792