Flavanone
PubChem CID: 10251
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| Compound Synonyms | FLAVANONE, 487-26-3, 2-Phenylchroman-4-one, 2,3-Dihydroflavone, 4-Flavanone, 2-Phenyl-4-chromanone, Flavanone-d5, 2,3-Dihydro-2-phenyl-4H-1-benzopyran-4-one, NSC-50393, 2,3-Dihydro-2-phenyl-4H-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-2-phenyl-, 2-Phenyl-2,3-dihydro-4H-chromen-4-one, 2-Phenylchromanone, EINECS 207-654-8, UNII-WX22P730FB, MFCD00006841, NSC 50393, (+/-)-flavanone, BRN 0183227, CHEBI:5070, WX22P730FB, DL-FLAVANONE, 2-phenyl-2,3-dihydrochromen-4-one, MLS002667384, CHEMBL274318, DTXSID9022318, FLAVANONE, (+/-)-, ZONYXWQDUYMKFB-UHFFFAOYSA-, 5-17-10-00480 (Beilstein Handbook Reference), NSC50393, (2RS)-2-Phenyl-2,3-dihydro-4H-1-benzopyran-4-one, PROPAFENONE HYDROCHLORIDE IMPURITY H [EP IMPURITY], FLAVANONE (3,3-D2), SMR001306759, (+-)-flavanone, 2-Phenyl-chroman-4-one, PROPAFENONE HYDROCHLORIDE IMPURITY H (EP IMPURITY), a flavanone, 2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one, flavan-4-one, Propafenone Hydrochloride Imp. H (EP), Propafenone Imp. H (EP), (2RS)-2-Phenyl-2,3-dihydro-4H-1-benzopyran-4-one, Propafenone Hydrochloride Impurity H, Propafenone Impurity H, phenylchroman-4-one, Flavanone, 98%, 2-phenyl-2, Spectrum_000081, SpecPlus_000724, Spectrum2_000205, Spectrum3_000174, Spectrum4_001646, Spectrum5_000491, Flavone, 2,3-dihydro-, (2R)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one, Oprea1_401736, SCHEMBL19745, BSPBio_001667, GTPL408, KBioGR_002111, KBioSS_000501, SPECTRUM200343, MLS002207195, DivK1c_006820, SPBio_000189, DTXCID302318, MEGxp0_001684, ACon1_002246, KBio1_001764, KBio2_000501, KBio2_003069, KBio2_005637, KBio3_001167, HY-N7128, WFA19691, BBL027613, BDBM50051358, CCG-21177, s3679, STL373060, AKOS000120276, AKOS016040110, FF23297, NCGC00095802-01, NCGC00095802-02, NCGC00095802-03, NCGC00095802-05, AS-48159, DA-53215, NCI60_004213, SY049235, 2-Phenyl-2,3-dihydro-4H-chromen-4-one #, CS-0030762, EU-0012871, F0255, NS00007587, 4H-1-Benzopyran-4-one,3-dihydro-2-phenyl-, EN300-17915, C00766, F19539, L000786, SR-01000500943, F4C11F5A-DFFA-4E0E-BCC9-2FD60204B2DD, SR-01000500943-1, BRD-A07824748-001-02-6, BRD-A07824748-001-03-4, Q27077305, Z57085783, 2,3-Dihydro-2-phenyl-4H-1-benzopyran-4-one, 2,3-Dihydroflavone |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavanones |
| Deep Smiles | O=CCCOcc6cccc6)))))))cccccc6 |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Flavonoids |
| Description | Flavonoids (or bioflavonoids) (from the Latin word flavus meaning yellow), also collectively known as Vitamin P and citrin, are a class of plant secondary metabolites or yellow pigments having a structure similar to that of flavones. Flavonoids is found in many foods, some of which are blackcurrant, wild celery, rose hip, and turmeric. |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | Flavans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P11511, P25099, P0DMS8, P28647, P15207, n.a., P14061, P37059, P10275, P04150, P27338, Q99714, B2RXH2, P02791, P83916, P80244, Q16236, Q9NUW8, Q13148, Q9Y6L6, Q9NPD5, Q8WZA2 |
| Iupac Name | 2-phenyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Class | Flavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT441, NPT218, NPT153, NPT582, NPT149, NPT48 |
| Xlogp | 3.2 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Flavans |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H12O2 |
| Scaffold Graph Node Bond Level | O=C1CC(c2ccccc2)Oc2ccccc21 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZONYXWQDUYMKFB-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1333333333333333 |
| Logs | -4.32 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.11 |
| Synonyms | Bioflavonoids, Flavonoid, 2,3-Dihydro-2-phenyl-4H-1-benzopyran-4-one, 2,3-Dihydroflavone, (+-)-Flavanone, Flavanone, (+-)-isomer, Flavanone, 2-(14)C-labeled, Flavanone, (S)-isomer, Flavanone, (R)-isomer, a flavanone, flavanone |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O, cOC |
| Compound Name | Flavanone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 224.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 224.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.6649587411764712 |
| Inchi | InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2 |
| Smiles | C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3 |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Flavanones |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Abelmoschus Esculentus (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Atropa Belladonna (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16147863 - 4. Outgoing r'ship
FOUND_INto/from Bauhinia Variegata (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/14559285 - 5. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/12130858 - 6. Outgoing r'ship
FOUND_INto/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/17628348 - 8. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/18404354 - 9. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/12868495 - 10. Outgoing r'ship
FOUND_INto/from Cotinus Coggygria (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/20446241 - 11. Outgoing r'ship
FOUND_INto/from Cullen Corylifolium (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/312274 - 12. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Cuscuta Reflexa (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16186624 - 14. Outgoing r'ship
FOUND_INto/from Daemonorops Draco (Plant) Rel Props:Source_db:npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Erythrina Stricta (Plant) Rel Props:Reference:ISBN:9789327275590 - 16. Outgoing r'ship
FOUND_INto/from Fagopyrum Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 17. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Galinsoga Parviflora (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/19772485 - 19. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:fooddb_chem_all - 20. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/17629935 - 21. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/3245990 - 22. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:fooddb_chem_all - 23. Outgoing r'ship
FOUND_INto/from Maclura Pomifera (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/15679154 - 24. Outgoing r'ship
FOUND_INto/from Matthiola Incana (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/8223617 - 25. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Source_db:fooddb_chem_all - 26. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/18413994 - 27. Outgoing r'ship
FOUND_INto/from Passiflora Edulis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 28. Outgoing r'ship
FOUND_INto/from Persicaria Lapathifolia (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16610219 - 29. Outgoing r'ship
FOUND_INto/from Petroselinum Crispum (Plant) Rel Props:Source_db:fooddb_chem_all - 30. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all - 31. Outgoing r'ship
FOUND_INto/from Prunus Cerasoides (Plant) Rel Props:Reference:ISBN:9788171360536 - 32. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:fooddb_chem_all - 33. Outgoing r'ship
FOUND_INto/from Ribes Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 34. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/15291464 - 35. Outgoing r'ship
FOUND_INto/from Santolina Chamaecyparissus (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/17396957 - 36. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 37. Outgoing r'ship
FOUND_INto/from Vitex Negundo (Plant) Rel Props:Reference:ISBN:9780387706375 - 38. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all