8-C-Methylgalangin
PubChem CID: 44258729
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| Compound Synonyms | 8-C-Methylgalangin, LMPK12111642, 97208-78-1, 3,5,7-trihydroxy-8-methyl-2-phenylchromen-4-one |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,7-trihydroxy-8-methyl-2-phenylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C16H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SZEGGRGYVVQDCY-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.552 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.409 |
| Compound Name | 8-C-Methylgalangin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 284.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.776064923809524 |
| Inchi | InChI=1S/C16H12O5/c1-8-10(17)7-11(18)12-13(19)14(20)16(21-15(8)12)9-5-3-2-4-6-9/h2-7,17-18,20H,1H3 |
| Smiles | CC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)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