3-Hydroxyflavone
PubChem CID: 11349
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| Compound Synonyms | 3-Hydroxyflavone, Flavonol, 577-85-5, 3-Hydroxy-2-phenyl-4H-chromen-4-one, Flavon-3-ol, 4H-1-Benzopyran-4-one, 3-hydroxy-2-phenyl-, 3-Hydroxy-2-phenylchromone, 3-hydroxy-2-phenylchromen-4-one, FLAVONE, 3-HYDROXY-, flavonols, ZTG9LSS5QH, NSC57653, EINECS 209-416-9, MFCD00006832, NSC 57653, NSC 58585, NSC-57653, CHEBI:5078, HSDB 7572, 3-hydroxy-2-phenyl-4H-1-benzopyran-4-one, CHEMBL294009, 3-HYDROXYFLAVONE [HSDB], DTXSID4060365, NCI-57653, NSC-58585, NSC-58586, NSC-58587, FLAVONE,3-HYDROXY-, NSC58585, 3-HF, SR-01000401360, UNII-ZTG9LSS5QH, Flavonoids, 3 hydroxy 4 keto Flavonoids, 3-hydroxy-4-keto-Flavonoids, 3-hydroxyflavon, Flavon3ol, Dietary Flavonoid, 3-hydroxyflavones, Flavone, 3hydroxy, 2 Phenyl Chromene, 2-Phenyl-Chromene, 3-hydroxy-2-phenyl-chromen-4-one, 2 Phenyl Chromenes, 2-Phenyl-Chromenes, 2 Phenyl Benzopyran, 2-Phenyl-Benzopyran, 2 Phenyl Benzopyrans, 2-Phenyl-Benzopyrans, 2-aryl-1-benzopyran, 2 Phenyl 3 Hydroxy Benzopyran 4 Ones, 2-Phenyl-3-Hydroxy-Benzopyran-4-Ones, 2-aryl-1-benzopyrans, Spectrum_000328, SpecPlus_000831, Spectrum2_001392, Spectrum3_001432, Spectrum4_001845, Spectrum5_000350, Oprea1_038914, Oprea1_692205, SCHEMBL20246, 3-Hydroxyflavone, >=98%, BSPBio_003164, KBioGR_002250, KBioSS_000808, MLS002207277, BIDD:ER0553, DivK1c_006927, SPECTRUM1501012, SPBio_001404, F0013-0884, MEGxp0_001695, DTXCID9042253, ACon1_000167, CHEBI:28802, CHEBI:47916, CHEBI:63326, CHEBI:72544, KBio1_001871, KBio2_000808, KBio2_003376, KBio2_005944, KBio3_002384, HMS3740M15, KUC106685N, WLN: T66 BO EVJ CR& DQ, 4H1Benzopyran4one, 3hydroxy2phenyl, BDBM50187668, CCG-38858, s4790, AKOS000599906, FH52495, SDCCGMLS-0066736.P001, NCGC00095653-01, NCGC00095653-02, NCGC00095653-03, 3-Hydroxy-2-phenyl-4H-chromen-4-one #, AS-19638, Flavon-3-ol, 3-Hydroxy-2-phenylchromone, SMR000112317, SY048803, KSC-11-207-16, DB-053103, HY-107825, CS-0030701, EU-0001678, H0379, NS00043440, VU0053575-3, C01495, D71219, 3-Hydroxy-2-phenyl-4H-1-benzopyran-4-one, 9CI, Q5919049, SR-01000401360-1, SR-01000401360-2, BRD-K55150756-001-05-7, B48D3495-6D21-4742-8A87-D3DE07DC9554, 209-416-9 |
|---|---|
| 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 | Flavonols |
| Deep Smiles | O=ccO)cocc6cccc6)))))))cccccc6 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Flavonoids |
| Description | Constituent of cabbage. 3-Hydroxyflavone is found in many foods, some of which are red raspberry, brassicas, papaya, and pomegranate. |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 366.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22309, P16116, P0AES4, P49327, P18054, P16050, O15296, P47989, n.a., P15304, P10275, Q03164, P02545, B2RXH2, P51450, P28482, P04637, P08684, P62158, P08183, O95149, Q8IL88, Q9UNA4, Q9Y253, P84022, O94782, Q9Y4X1, Q9HAW8, P35503, P22310, P19224, Q9HAW7, Q9HAW9, O60656, P54855, P00915, P00918, Q16790, O43570, O75496, Q99700, P43220, Q9NUW8, Q9Y6L6, Q9NPD5, P27695, Q16678 |
| Iupac Name | 3-hydroxy-2-phenylchromen-4-one |
| Prediction Hob | 1.0 |
| Class | Flavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT792, NPT153, NPT483, NPT48, NPT282, NPT539, NPT109, NPT947, NPT233, NPT948, NPT949, NPT1604 |
| Xlogp | 3.4 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Flavones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O3 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HVQAJTFOCKOKIN-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0 |
| Logs | -3.781 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 2.658 |
| Synonyms | 3-Hydroxy-2-phenyl-4H-1-benzopyran-4-one, 3-Hydroxy-2-phenyl-4H-1-benzopyran-4-one, 9CI, 3-Hydroxy-2-phenylchromone, 3,4-Flavandione, Flavon-3-ol, Flavonol, Flavonols, 3-Hydroxyflavone, 3-Hydroxy-2-phenyl-4H-1-benzopyran-4-one, 9ci, flavon-3-ol, flavonol, flavonols |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | 3-Hydroxyflavone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 238.24 |
| 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 | -3.452378177777778 |
| Inchi | InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H |
| Smiles | C1=CC=C(C=C1)C2=C(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 |
| Taxonomy Direct Parent | Flavonols |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Ailanthus Altissima (Plant) Rel Props:Reference:ISBN:9788172362089 - 2. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Chelidonium Majus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Cichorium Glandulosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Cichorium Intybus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Cissampelos Pareira (Plant) Rel Props:Reference:ISBN:9788190115131 - 9. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Impatiens Balsamina (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9789327275590 - 12. Outgoing r'ship
FOUND_INto/from Inula Grantioides (Plant) Rel Props:Reference:ISBN:9788172362300 - 13. Outgoing r'ship
FOUND_INto/from Ixora Coccinea (Plant) Rel Props:Reference:ISBN:9789327275590 - 14. Outgoing r'ship
FOUND_INto/from Opuntia Dillenii (Plant) Rel Props:Reference:ISBN:9788172363130 - 15. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:fooddb_chem_all - 16. Outgoing r'ship
FOUND_INto/from Ribes Rubrum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/17261020 - 17. Outgoing r'ship
FOUND_INto/from Rubus Idaeus (Plant) Rel Props:Source_db:fooddb_chem_all - 18. Outgoing r'ship
FOUND_INto/from Sesbania Sesban (Plant) Rel Props:Reference:ISBN:9788171360536 - 19. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:fooddb_chem_all