Flavone
PubChem CID: 10680
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | FLAVONE, 525-82-6, 2-Phenyl-4H-chromen-4-one, 2-Phenylchromone, 2-Phenyl-4-chromone, Asmacoril, Chromocor, 2-phenylchromen-4-one, Cromaril, 2-Phenyl-4H-1-benzopyran-4-one, 2-Phenyl-4-benzopyron, 4H-1-Benzopyran-4-one, 2-phenyl-, Phenylchromone, 2-Phenyl-chromen-4-one, Cromarile, 2-Phenyl-gamma-benzopyrone, Flavon, 2-Phenylbenzopyran-4-one, 2-Phenyl-4H-benzopyran-4-one, 2-Phenyl-.gamma.-benzopyrone, Flavone (VAN), 2-Phenyl-4H-chromen-4-on, MFCD00006825, NSC 19028, NSC-19028, CCRIS 4288, 2-phenyl-1,4-benzopyrone, EINECS 208-383-8, UNII-S2V45N7G3B, BRN 0157598, S2V45N7G3B, DTXSID2022048, CHEBI:42491, NSC19028, FLAVONE [MI], 2-phenyl-1-benzopyran-4-one, MLS002638647, CHEMBL275638, DTXCID602048, 5-17-10-00552 (Beilstein Handbook Reference), NCGC00090962-05, CAS-525-82-6, FLN, SMR000112315, Flavone, Flavone, 4hki, 2-phenyl-4H-chromone, Maybridge3_005286, bmse000945, Flavone (VAN) (8CI), CBiol_000263, SCHEMBL18879, GTPL409, MLS002177804, MLS002473400, 2-Phenylbenzo[b]pyran-4-one, BIDD:ER0515, MEGxp0_001685, 2-Phenyl-4H-chromen-4-one #, ACon1_000055, CHEBI:24043, HMS1446A06, HMS2269O06, HMS3604K19, HY-N2424, Tox21_202987, Tox21_400059, BDBM50028962, ICCB2_000263, LMPK12110097, s3967, STK164205, AKOS000603572, CCG-214679, DB07776, FF52488, IDI1_016673, NCGC00090962-01, NCGC00090962-02, NCGC00090962-03, NCGC00090962-04, NCGC00090962-06, NCGC00168837-01, NCGC00260532-01, AC-35144, AS-58464, SY012830, DB-052142, CS-0022637, F0015, NS00007856, C10043, AH-357/03404044, EN300-18246169, L001213, CU-00000000060-1, Q2742033, BRD-K86741145-001-01-5, 6CC153EB-39A6-42FC-BE96-C8BF1D585E27, 2-Phenyl-4H-1-benzopyran-4-one, 2-Phenyl-4H-chromen-4-one, 11091-19-3, 208-383-8 |
|---|---|
| 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 | Flavones |
| Deep Smiles | O=cccocc6cccc6)))))))cccccc6 |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Flavonoids |
| Description | Flavones (flavus = yellow), are a class of flavonoids based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one). Flavones is found in many foods, some of which are dill, feijoa, pomegranate, and rosemary. |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q12791, P15144, n.a., Q9ES14, Q16445, Q05769, P25099, P30543, P0DMS8, P28647, P78527, P15207, P80457, P00533, P14061, P37059, Q54A96, P28272, Q08493, P10275, P04150, P21397, P11511, P28845, P51151, Q16637, O15118, P15428, P04637, P08684, P52270, P62158, Q9UNQ0, Q96QE3, P08183, P19793, P03372, P83916, P10828, Q03181, P08659, P00915, P00918, Q16790, O43570, O75496, P35869, Q16236, P43220, Q9R1A7, P10145, P51449, P09874, Q9H2K2, O95271, Q9NUW8, P09917, Q15118, Q16678, P27487, P09467, P99999, P04792, P19838 |
| Iupac Name | 2-phenylchromen-4-one |
| Prediction Hob | 1.0 |
| Class | Flavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT218, NPT153, NPT441, NPT537, NPT93, NPT538, NPT151, NPT539, NPT109, NPT1422, NPT947, NPT233, NPT948, NPT949, NPT2562, NPT2563, NPT588, NPT1604, NPT1592 |
| Xlogp | 3.6 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Flavones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O2 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VHBFFQKBGNRLFZ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.0 |
| Logs | -4.864 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 3.105 |
| Synonyms | 2-Phenyl-4-benzopyron, 2-Phenyl-4-chromone, 2-Phenyl-4H-1-benzopyran-4-one, 2-Phenyl-4H-benzopyran-4-one, 2-Phenyl-4H-chromen-4-one, 2-Phenyl-g-benzopyrone, 2-Phenyl-gamma-benzopyrone, 2-Phenyl-γ-benzopyrone, 2-Phenylbenzopyran-4-one, 2-Phenylchromen-4-one, 2-Phenylchromone, 4H-1-Benzopyran-4-one, 2-phenyl-, Asmacoril, Chromocor, Cromaril, Flavon, Flavone, Flavone (6CI,8CI), 2-PHENYL-4H-chromen-4-one, Flavone, 14C-labeled, 2-phenylchromone, flavone |
| Substituent Name | Flavone, Chromone, 1-benzopyran, Benzopyran, Pyranone, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Oxacycle, Organoheterocyclic compound, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, coc |
| Compound Name | Flavone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 222.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.354077188235294 |
| Inchi | InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H |
| Smiles | C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2 |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Flavones |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Anethum Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Anthocleista Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Reference:ISBN:9788172363178 - 4. Outgoing r'ship
FOUND_INto/from Asplenium Normale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Brucea Javanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Carpobrotus Edulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Castanea Crenata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Centrolobium Tomentosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Ceratophyllum Submersum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Chamaemelum Nobile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Chukrasia Tabularis (Plant) Rel Props:Reference:ISBN:9789327275590 - 13. Outgoing r'ship
FOUND_INto/from Commelina Communis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Desmodium Styracifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Dracocephalum Kotschyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Feijoa Sellowiana (Plant) Rel Props:Source_db:fooddb_chem_all - 17. Outgoing r'ship
FOUND_INto/from Helleborus Caucasicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Hemerocallis Minor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Reference:ISBN:9780896038776 - 20. Outgoing r'ship
FOUND_INto/from Hypoestes Serpens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Ilex Rotunda (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Justicia Adhatoda (Plant) Rel Props:Reference:ISBN:9770972795006 - 23. Outgoing r'ship
FOUND_INto/from Lespedeza Homoloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Lippia Carviodora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Lolium Perenne (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Myrica Nana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Oroxylum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 28. Outgoing r'ship
FOUND_INto/from Phoenix Dactylifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 29. Outgoing r'ship
FOUND_INto/from Primula Farinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Primula Macrophylla (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/18686139 - 31. Outgoing r'ship
FOUND_INto/from Primula Pulverulenta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Psilostrophe Cooperi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:fooddb_chem_all - 34. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all - 35. Outgoing r'ship
FOUND_INto/from Schkuhria Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 36. Outgoing r'ship
FOUND_INto/from Sideritis Tragoriganum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 37. Outgoing r'ship
FOUND_INto/from Solanum Jamaicense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 38. Outgoing r'ship
FOUND_INto/from Swertia Hickinii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 39. Outgoing r'ship
FOUND_INto/from Tarenna Asiatica (Plant) Rel Props:Reference:ISBN:9780387706375 - 40. Outgoing r'ship
FOUND_INto/from Trachyspermum Ammi (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172361150 - 41. Outgoing r'ship
FOUND_INto/from Trifolium Alexandrinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all