Flindulatin
PubChem CID: 5466138
Connections displayed (default: 10).
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| Compound Synonyms | Flindulatin, 521-44-8, NSC678105, 5-Hydroxy-3,4',7,8-tetramethoxyflavone, 3,7,8,4'-Tetramethylherbacetin, 5-Hydroxy-2-(4-methoxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one, CHEMBL164899, SCHEMBL2344202, 5-hydroxy-3,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one, AAA52144, LMPK12113163, 5-Hydroxy-3,7,8-tetramethoxyflavone, NSC-678105, NCI60_027976, 5-Hydroxy-3,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 538.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-3,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C19H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SQOMVBRIXCJFKW-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.376 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.913 |
| Compound Name | Flindulatin |
| 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 | -4.007829815384617 |
| Inchi | InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)16-19(25-4)15(21)14-12(20)9-13(23-2)17(24-3)18(14)26-16/h5-9,20H,1-4H3 |
| Smiles | COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Volubile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Derris Malaccensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Plagiogyria Dunnii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Sophora Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all