5,7,2'-Trihydroxyflavone
PubChem CID: 5322064
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| Compound Synonyms | 5,7,2'-Trihydroxyflavone, 73046-40-9, 5,7-dihydroxy-2-(2-hydroxyphenyl)-4H-chromen-4-one, 5,7-dihydroxy-2-(2-hydroxyphenyl)chromen-4-one, CHEMBL242385, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(2-hydroxyphenyl)-, 2'-Hydroxychrysin, TNP00057, MFCD00064915, 5,7,2''-Trihydroxyflavone, SCHEMBL3708991, 5,7-Dihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one, DTXSID10223324, CHEBI:196248, OFYPDAKTVZXXPC-UHFFFAOYSA-N, BDBM50312646, LMPK12110125, AKOS024282397, MB00514, NCGC00017193-01, NCGC00017193-02, NCGC00142442-01, BP-10213, DB-055717, NS00116327 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., Q9Y3R4, P10636, P33261, P28482, Q03164, P04637, P08684, P10635, P11712, Q9NUW8, P22002 |
| Iupac Name | 5,7-dihydroxy-2-(2-hydroxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT1338, NPT51, NPT213, NPT282, NPT539, NPT109, NPT110, NPT212 |
| Xlogp | 1.7 |
| Molecular Formula | C15H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OFYPDAKTVZXXPC-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.489 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.745 |
| Compound Name | 5,7,2'-Trihydroxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 270.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.225888 |
| Inchi | InChI=1S/C15H10O5/c16-8-5-11(18)15-12(19)7-13(20-14(15)6-8)9-3-1-2-4-10(9)17/h1-7,16-18H |
| Smiles | C1=CC=C(C(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scutellaria Baicalensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Scutellaria Balcalensis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Scutellaria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all