3'-Hydroxy-4',5',7,8-tetramethoxyflavone
PubChem CID: 44257591
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| Compound Synonyms | 3'-Hydroxy-4',5',7,8-tetramethoxyflavone, 3'-Hydroxy-7,8,4',5'-tetramethoxyflavone, CHEMBL465256, SCHEMBL6797692, CHEBI:175601, DTXSID401156925, LMPK12110077, 133342-98-0, 2-(3-hydroxy-4,5-dimethoxyphenyl)-7,8-dimethoxychromen-4-one, 2-(3-Hydroxy-4,5-dimethoxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Description | Constituent of the roots of Muntingia calabura (Jamaican cherry). 3'-Hydroxy-4',5',7,8-tetramethoxyflavone is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 534.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-(3-hydroxy-4,5-dimethoxyphenyl)-7,8-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C19H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LCFAQXHDTREUOX-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.366 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.791 |
| Synonyms | 3'-Hydroxy-4',5',7,8-tetramethoxyflavone, 3'-Hydroxy-7,8,4',5'-tetramethoxyflavone |
| Compound Name | 3'-Hydroxy-4',5',7,8-tetramethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 358.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 358.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.396729815384616 |
| Inchi | InChI=1S/C19H18O7/c1-22-14-6-5-11-12(20)9-15(26-17(11)19(14)25-4)10-7-13(21)18(24-3)16(8-10)23-2/h5-9,21H,1-4H3 |
| Smiles | COC1=C(C2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C(=C3)OC)OC)O)OC |
| 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