3',4',7-Trihydroxyflavanone
PubChem CID: 3496769
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| Compound Synonyms | 21913-99-5, 3',4',7-Trihydroxyflavanone, 2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one, 2-(3,4-Dihydroxyphenyl)-7-hydroxychroman-4-one, MEGxp0_000004, SCHEMBL5504140, CHEMBL3401430, ACon1_000269, HY-N6020B, CHEBI:183341, DTXSID301162721, AKOS040732682, NCGC00180724-01, MS-23848, CS-0106898, G61000, BRD-A75085792-001-01-8, B2703-142961, 2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C15H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MJBPUQUGJNAPAZ-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.8 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.328 |
| Compound Name | 3',4',7-Trihydroxyflavanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1281872 |
| Inchi | InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2 |
| Smiles | C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Eclipta Prostrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Robinia Pseudoacacia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Spatholobus Suberectus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all