2,3-Dihydroflavon-3-ol
PubChem CID: 147806
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| Compound Synonyms | 1621-55-2, 2,3-dihydroflavon-3-ol, 3-hydroxy-2-phenylchroman-4-one, Dihydroflavonol, 3-hydroxy-2-phenyl-2,3-dihydrochromen-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-3-hydroxy-2-phenyl-, 124191-32-8, 3-Hydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one, flavanonol, dihydroflavonols, Flavanon-3-ol, 2,3-dihydroflavonol, 2,3-dihydroflavonols, Maybridge3_002930, SCHEMBL130234, (2S,3R)-3-hydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydrohydroxy-2-phenyl-, CHEBI:48039, CHEBI:48040, DTXSID90924746, HMS1439F04, 3-hydroxy-2-phenyl-chroman-4-one, STK897377, AKOS002177399, AKOS016295991, IDI1_014317, NCGC00178229-01, NCGC00178229-02, AS-69760, DB-348289, F87154, 3-Hydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one #, Q27120915, 3-Hydroxy-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one, 3-hydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Dihydroflavonols |
| Deep Smiles | OCCOccC6=O))cccc6)))))))cccccc6 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | Flavans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-2-phenyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H12O3 |
| Scaffold Graph Node Bond Level | O=C1CC(c2ccccc2)Oc2ccccc21 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YEDFEBOUHSBQBT-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1333333333333333 |
| Logs | -2.702 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.955 |
| Synonyms | dihydroflavonol |
| Esol Class | Soluble |
| Functional Groups | CO, cC(C)=O, cOC |
| Compound Name | 2,3-Dihydroflavon-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 240.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.979132933333333 |
| Inchi | InChI=1S/C15H12O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,14-15,17H |
| Smiles | C1=CC=C(C=C1)C2C(C(=O)C3=CC=CC=C3O2)O |
| Nring | 3.0 |
| 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 Allium Ascalonicum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/19238347 - 2. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/19238347 - 3. Outgoing r'ship
FOUND_INto/from Cedrus Deodara (Plant) Rel Props:Reference:ISBN:9788172360481 - 4. Outgoing r'ship
FOUND_INto/from Hovenia Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Prunus Domestica (Plant) Rel Props:Reference:ISBN:9788185042053 - 6. Outgoing r'ship
FOUND_INto/from Rhododendron Grande (Plant) Rel Props:Reference:ISBN:9788185042053 - 7. Outgoing r'ship
FOUND_INto/from Santolina Chamaecyparissus (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/17396957