8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
PubChem CID: 44257590
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| Compound Synonyms | 8,3'-Dihydroxy-7,4',5'-trimethoxyflavone, 3',8-Dihydroxy-4',5',7-trimethoxyflavone, CHEMBL464701, SCHEMBL6803222, DTXSID201144215, LMPK12110076, 133343-00-7, 8,5'-dihydroxy-7,3',4'-trimethoxyflavone, 8-Hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 94.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Description | Constituent of the roots of Muntingia calabura (Jamaica cherry). 3',8-Dihydroxy-4',5',7-trimethoxyflavone is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 8-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C18H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RHXKHTYRDAJUEZ-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.061 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.558 |
| Synonyms | 3',8-Dihydroxy-4',5',7-trimethoxyflavone, 8,3'-Dihydroxy-7,4',5'-trimethoxyflavone |
| Compound Name | 8,3'-Dihydroxy-7,4',5'-trimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 344.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1860778000000005 |
| Inchi | InChI=1S/C18H16O7/c1-22-13-5-4-10-11(19)8-14(25-17(10)16(13)21)9-6-12(20)18(24-3)15(7-9)23-2/h4-8,20-21H,1-3H3 |
| Smiles | COC1=C(C2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C(=C3)OC)OC)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Muntingia Calabura (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all