3,5,7-Trihydroxy-3',4',5'-trimethoxyflavone
PubChem CID: 5481248
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| Compound Synonyms | 146132-95-8, 3,5,7-TRIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE, 3,5,7-Trihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one, 3,5,7-trihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one, Myricetin trimethyl ether, CHEMBL75258, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trimethoxyphenyl)-, MFCD00017678, 3',4',5'-trimethylmyricetin, SCHEMBL4034698, DTXSID00420502, LHNLHJJGLDWGFS-UHFFFAOYSA-N, BDBM50420206, myricetin 3',4',5'-trimethyl ether, AKOS015900138, FM65900, AS-35145, DB-042825, CS-0149049, EN300-207044, 3,3,7-Trihydroxy-3',4',5'-trimethoxyflavone, Z1980554292, 3,5,7-Trihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 547.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P0AES4, P08183 |
| Iupac Name | 3,5,7-trihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT668 |
| Xlogp | 2.2 |
| Molecular Formula | C18H16O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LHNLHJJGLDWGFS-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.632 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.442 |
| Compound Name | 3,5,7-Trihydroxy-3',4',5'-trimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 360.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.085 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 360.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6576562153846157 |
| Inchi | InChI=1S/C18H16O8/c1-23-12-4-8(5-13(24-2)18(12)25-3)17-16(22)15(21)14-10(20)6-9(19)7-11(14)26-17/h4-7,19-20,22H,1-3H3 |
| Smiles | COC1=CC(=CC(=C1OC)OC)C2=C(C(=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 Vitex Peduncularis (Plant) Rel Props:Source_db:npass_chem_all