Fremontin Tetraacetate
PubChem CID: 44566227
Connections displayed (default: 10).
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| Compound Synonyms | Fremontin tetraacetate, (5-acetyloxy-3-(4,5-diacetyloxy-2-(2-methylbut-3-en-2-yl)phenyl)-4-oxochromen-7-yl) acetate, [5-acetyloxy-3-[4,5-diacetyloxy-2-(2-methylbut-3-en-2-yl)phenyl]-4-oxochromen-7-yl] acetate, CHEMBL491160 |
|---|---|
| Topological Polar Surface Area | 132.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1010.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [5-acetyloxy-3-[4,5-diacetyloxy-2-(2-methylbut-3-en-2-yl)phenyl]-4-oxochromen-7-yl] acetate |
| Prediction Hob | 0.0 |
| Xlogp | 4.1 |
| Molecular Formula | C28H26O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GXUDMRDICMYDQL-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -5.368 |
| Rotatable Bond Count | 11.0 |
| Logd | 2.37 |
| Compound Name | Fremontin Tetraacetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 522.153 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 522.153 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 522.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.769316147368424 |
| Inchi | InChI=1S/C28H26O10/c1-8-28(6,7)21-12-23(37-16(4)31)22(36-15(3)30)11-19(21)20-13-34-24-9-18(35-14(2)29)10-25(38-17(5)32)26(24)27(20)33/h8-13H,1H2,2-7H3 |
| Smiles | CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C(=CO2)C3=CC(=C(C=C3C(C)(C)C=C)OC(=O)C)OC(=O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Acnistus Arborescens (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Aloe Arborescens (Plant) Rel Props:Reference: - 3. Outgoing r'ship
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FOUND_INto/from Erythrina Arborescens (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Hedyosmum Arborescens (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Heliotropium Arborescens (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Hydrangea Arborescens (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Jasminum Arborescens (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Launaea Arborescens (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Mascarenhasia Arborescens (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Phonus Arborescens (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Psorothamnus Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Psorothamnus Junceus (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Psorothamnus Polydenius (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Psorothamnus Spinosus (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Sideritis Arborescens (Plant) Rel Props:Reference: - 20. Outgoing r'ship
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