2,5-Dihydroxy-7-methoxyflavanone
PubChem CID: 182239
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| Compound Synonyms | 2,5-dihydroxy-7-methoxyflavanone, 35486-66-9, SCHEMBL6565166, 2,5-Dihydroxy-7-methoxyflavanon, DTXSID00956891, HY-N12803, CS-1050964, G89225, 2,5-Dihydroxy-7-methoxy-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavanones |
| Deep Smiles | COcccOCO)CC=O)c6cc%10)O)))))cccccc6 |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | O-methylated flavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 392.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dihydroxy-7-methoxy-2-phenyl-3H-chromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H14O5 |
| Scaffold Graph Node Bond Level | O=C1CC(c2ccccc2)Oc2ccccc21 |
| Inchi Key | RBTSKEDOUJLPHO-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2,5,-dihydroxy-7-methoxyflavanone |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O, cO, cOC, cOC(c)(C)O |
| Compound Name | 2,5-Dihydroxy-7-methoxyflavanone |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 286.28 |
| 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/C16H14O5/c1-20-11-7-12(17)15-13(18)9-16(19,21-14(15)8-11)10-5-3-2-4-6-10/h2-8,17,19H,9H2,1H3 |
| Smiles | COC1=CC(=C2C(=O)CC(OC2=C1)(C3=CC=CC=C3)O)O |
| 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 Populus Nigra (Plant) Rel Props:Reference:ISBN:9788185042084