3',4',5',7,8-Pentamethoxyflavone
PubChem CID: 24750458
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| Compound Synonyms | 7,8,3',4',5'-pentamethoxyflavone, 3',4',5',7,8-Pentamethoxyflavone, CHEMBL465255, CHEBI:175783, DTXSID401176608, BDBM50025478, LMPK12110078, 133342-97-9, 7,8,3'''',4'''',5''''-Pentamethoxyflavone, 7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one, 7,8-Dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 72.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Description | Constituent of the roots of Muntingia calabura (Jamaica cherry). 3',4',5',7,8-Pentamethoxyflavone is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 534.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P06239 |
| Iupac Name | 7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Class | Flavonoids |
| Xlogp | 3.0 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | O-methylated flavonoids |
| Molecular Formula | C20H20O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IQXUAKMLDBLFJK-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.765 |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Logd | 2.879 |
| Synonyms | 3',4',5',7,8-Pentamethoxyflavone, 7,8,3',4',5'-Pentamethoxyflavone, 783'4'5'-Pentamethoxyflavone |
| Compound Name | 3',4',5',7,8-Pentamethoxyflavone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 372.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 372.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 372.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.6087311185185196 |
| Inchi | InChI=1S/C20H20O7/c1-22-14-7-6-12-13(21)10-15(27-18(12)20(14)26-5)11-8-16(23-2)19(25-4)17(9-11)24-3/h6-10H,1-5H3 |
| Smiles | COC1=C(C2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 8-O-methylated flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Muntingia Calabura (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all