Jasmine lactone
PubChem CID: 5352626
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| Compound Synonyms | Jasmine lactone, 25524-95-2, (Z)-7-DECEN-5-OLIDE, Jasmin lactone, cis-Jasmin lactone, Jasmolactone, delta-, 6-[(Z)-pent-2-enyl]oxan-2-one, FEMA No. 3745, Jasminlactone, creamy lactone, 2H-Pyran-2-one, tetrahydro-6-(2Z)-2-penten-1-yl-, (Z)-6-(pent-2-en-1-yl)tetrahydro-2H-pyran-2-one, 2H-Pyran-2-one, tetrahydro-6-(2-pentenyl)-, (Z)-, UNII-H8558L43SR, Dec-7-en-5-olide, (Z)-, 5-(2-Pentenyl)pentanolide, cis-, H8558L43SR, .delta.-Jasmine lactone, Jasmolactone, .delta.-, EINECS 247-074-2, Dec-7(Z)-en-5-olide, 2H-Pyran-2-one, tetrahydro-6-(2Z)-2-pentenyl-, 5-Hydroxy-7-decenoic acid delta-lactone, 5-Hydroxy-7(Z)-decenoic acid delta-lactone, 5-Hydroxy-7(Z)-decenoic acid-delta-lactone, DTXSID30904360, Tetrahydro-6-(cis-2-pentenyl)-2H-pyran-2-one, Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one, (Z)-, 2H-Pyran-2-one, tetrahydro-6-((Z)-2-penten-1-yl)-, cis-7-decen-5-olide, 5-Hydroxy-7(Z)-decenoic acid-.delta.-lactone, tetrahydro-6-(2z)-2-pentenyl-2h-pyran-2-one, Tetrahydro-6-(2Z)-2-penten-1-yl-2H-Pyran-2-one, 5-HYDROXY-7-DECENOIC ACID .DELTA.-LACTONE [FHFI], (Z)-Dec-7-en-5-olide, (Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one, delta-Jasmine lactone, cis-7-Decen-5-olid, SCHEMBL2939421, CHEBI:180915, DTXCID101333516, MFCD00151946, AKOS040752161, BS-50890, DB-257062, HY-125678, CS-0092988, NS00086462, E83851, Q27279750, 247-074-2 |
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| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | CC/C=CCCCCCC=O)O6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Lactones |
| Scaffold Graph Node Level | OC1CCCCO1 |
| Classyfire Subclass | Delta valerolactones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 173.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-[(Z)-pent-2-enyl]oxan-2-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O2 |
| Scaffold Graph Node Bond Level | O=C1CCCCO1 |
| Inchi Key | XPPALVZZCMPTIV-ARJAWSKDSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | (z)-jasmin lactone, cis-jasmene lactone, jasmin lactone, jasmine lactone |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, COC(C)=O |
| Compound Name | Jasmine lactone |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3/b4-3- |
| Smiles | CC/C=C\CC1CCCC(=O)O1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/20460717 - 2. Outgoing r'ship
FOUND_INto/from Cestrum Nocturnum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698455 - 3. Outgoing r'ship
FOUND_INto/from Hedychium Coronarium (Plant) Rel Props:Reference:ISBN:9788172362140 - 4. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090609 - 5. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1264276 - 6. Outgoing r'ship
FOUND_INto/from Osmanthus Fragrans (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1989.9697755