6,8-Di-C-methylkaempferol 7-methyl ether
PubChem CID: 44259569
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| Compound Synonyms | 6,8-Di-C-methylkaempferol 7-methyl ether, CHEMBL3604314, LMPK12112588, 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-dimethylchromen-4-one, 97208-74-7 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 522.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-dimethylchromen-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Is Pains | False |
| Molecular Formula | C18H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IVIKRCXZMDDEDN-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 6,8-Di-C-methylkaempferol 7-methyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.095 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 328.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 328.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.126917333333334 |
| Inchi | InChI=1S/C18H16O6/c1-8-13(20)12-14(21)15(22)18(10-4-6-11(19)7-5-10)24-17(12)9(2)16(8)23-3/h4-7,19-20,22H,1-3H3 |
| Smiles | CC1=C(C2=C(C(=C1OC)C)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Helleborus Purpurascens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Phonus Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Smilax Aspera (Plant) Rel Props:Source_db:cmaup_ingredients