clauslactone E
PubChem CID: 10450031
Connections displayed (default: 10).
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| Compound Synonyms | clauslactone E, CHEMBL488603 |
|---|---|
| Topological Polar Surface Area | 82.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 619.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxy-7-[(E)-3-methyl-4-(4-methylidene-5-oxooxolan-2-yl)but-2-enoxy]chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C19H18O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WWTBMZAWBGEHRW-YRNVUSSQSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -4.06 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.967 |
| Compound Name | clauslactone E |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 342.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.0751514000000006 |
| Inchi | InChI=1S/C19H18O6/c1-11(9-14-10-12(2)19(22)24-14)7-8-23-15-5-3-13-4-6-16(20)25-18(13)17(15)21/h3-7,14,21H,2,8-10H2,1H3/b11-7+ |
| Smiles | C/C(=C\COC1=C(C2=C(C=C1)C=CC(=O)O2)O)/CC3CC(=C)C(=O)O3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Anisata (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Clausena Dentata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Clausena Dunniana (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Clausena Euchrestifolia (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Clausena Excavata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Clausena Harmandiana (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Clausena Heptaphylla (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Clausena Indica (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Clausena Kanpurensis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Clausena Lansium (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Clausena Lenis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Clausena Pentaphylla (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Clausena Suffruticosa (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Clausena Vestita (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Clausena Wampi (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Clausena Willdenowii (Plant) Rel Props:Reference: