5,7-Dihydroxy-2-n-pentacosanylchromen-4-one
PubChem CID: 129882287
Connections displayed (default: 10).
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| Compound Synonyms | 5,7-dihydroxy-2-n-pentacosanylchromen-4-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 616.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-pentacosylchromen-4-one |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 13.5 |
| Is Pains | False |
| Molecular Formula | C34H56O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NWFSQPMWHJQKSF-UHFFFAOYSA-N |
| Fcsp3 | 0.7352941176470589 |
| Rotatable Bond Count | 24.0 |
| Compound Name | 5,7-Dihydroxy-2-n-pentacosanylchromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 528.418 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 528.418 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 528.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -10.341508442105265 |
| Inchi | InChI=1S/C34H56O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30-28-32(37)34-31(36)26-29(35)27-33(34)38-30/h26-28,35-36H,2-25H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=O)C2=C(C=C(C=C2O1)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Astragalus Pterocarpus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cydonia Oblonga (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Garcinia Cowa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Gnaphalium Gaudichaudianum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Rumex Dentatus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Sanguinaria Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Uncaria Cordata (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Woodfordia Fruticosa (Plant) Rel Props:Source_db:cmaup_ingredients