Gweicurculactone
PubChem CID: 130117
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| Compound Synonyms | Gweicurculactone, 123914-43-2, DTXSID50154143, Azuleno(6,5-b)furan-2(5H)-one, 6,7-dihydro-3,5,8-trimethyl-, (R)-, CHEMBL4168534, DTXCID9076634, (8R)-1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 541.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8R)-1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C15H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OGJFTQVVQQMGJG-MRVPVSSYSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.358 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.736 |
| Compound Name | Gweicurculactone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 228.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0875983176470587 |
| Inchi | InChI=1S/C15H16O2/c1-8-4-5-11-9(2)6-14-13(7-12(8)11)10(3)15(16)17-14/h6-8H,4-5H2,1-3H3/t8-/m1/s1 |
| Smiles | C[C@@H]1CCC2=C(C=C3C(=C(C(=O)O3)C)C=C12)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Aromatica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients