Platanin 3-methyl ether
PubChem CID: 44259908
Connections displayed (default: 10).
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| Compound Synonyms | Platanin 3-methyl ether, LMPK12113083, 5,7,8-trihydroxy-3-methoxy-6-methyl-2-phenylchromen-4-one, 135905-59-8 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 495.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7,8-trihydroxy-3-methoxy-6-methyl-2-phenylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C17H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IFIXOQWXDOUKGO-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.531 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.1 |
| Compound Name | Platanin 3-methyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.828299208695652 |
| Inchi | InChI=1S/C17H14O6/c1-8-11(18)10-13(20)17(22-2)15(9-6-4-3-5-7-9)23-16(10)14(21)12(8)19/h3-7,18-19,21H,1-2H3 |
| Smiles | CC1=C(C2=C(C(=C1O)O)OC(=C(C2=O)OC)C3=CC=CC=C3)O |
| Nring | 3.0 |
| 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