Platanin 3,7-dimethyl ether
PubChem CID: 44259910
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Platanin 3,7-dimethyl ether, LMPK12113086, 5,8-dihydroxy-3,7-dimethoxy-6-methyl-2-phenylchromen-4-one, 97208-75-8 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 510.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-dihydroxy-3,7-dimethoxy-6-methyl-2-phenylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C18H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DGYAUJCXOBKRAF-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.095 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.579 |
| Compound Name | Platanin 3,7-dimethyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.095 |
| Formal Charge | 0.0 |
| 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 | -4.035717333333333 |
| Inchi | InChI=1S/C18H16O6/c1-9-12(19)11-13(20)18(23-3)16(10-7-5-4-6-8-10)24-17(11)14(21)15(9)22-2/h4-8,19,21H,1-3H3 |
| Smiles | CC1=C(C2=C(C(=C1OC)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