(2E)-5,7-dihydroxy-2-pentadecylidenechromen-4-one
PubChem CID: 23426826
Connections displayed (default: 10).
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| Topological Polar Surface Area | 66.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 473.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E)-5,7-dihydroxy-2-pentadecylidenechromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 8.8 |
| Molecular Formula | C24H36O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IQTHAFCOBIWDSO-HMMYKYKNSA-N |
| Fcsp3 | 0.625 |
| Logs | -3.166 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.539 |
| Compound Name | (2E)-5,7-dihydroxy-2-pentadecylidenechromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 388.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.261 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 388.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.125069028571429 |
| Inchi | InChI=1S/C24H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-18-22(27)24-21(26)16-19(25)17-23(24)28-20/h15-17,25-26H,2-14,18H2,1H3/b20-15+ |
| Smiles | CCCCCCCCCCCCCC/C=C/1\CC(=O)C2=C(C=C(C=C2O1)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gentiana Turkestanorum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Polygala Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients