(+)-Fenchone
PubChem CID: 1201521
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| Compound Synonyms | (+)-Fenchone, 4695-62-9, (1S)-(+)-fenchone, Fenchone, D-, FEMA No. 2479, d-1,3,3-Trimethyl-2-norbornanone, (+)-1,3,3-Trimethyl-2-norbornanone, 2-Norbornanone, 1,3,3-trimethyl-, (1S,4R)-(+)-, EINECS 225-160-0, d-1,3,3-Trimethyl-2-norcamphanone, 1,3,3-Trimethyl-2-norbornanone, D-, 1,3,3-Trimethyl-2-norcamphanone, D-, 2-Norbornanone, 1,3,3-trimethyl-, (1R,4S)-(+)-, (+)-Fenchone, 98%, 225-160-0, D-FENCHONE, 77%, fenchone, (1S)-isomer, D-FENCHONE, (1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one, (1S,4R)-fenchone, (1S)-fenchone, (+)-2-fenchanone, (+)-fenchan-2-one, (1S,4R)-2-fenchanone, (1S,4R)-fenchan-2-one, (1S,4R)-(+)-fenchone, S436YKU51N, (1S,4R)-(+)-2-fenchanone, (1S,4R)-(+)-fenchan-2-one, (1S)-1,3,3-Trimethylbicyclo(2.2.1)heptan-2-one, 2-Fenchanone, D-, d-Fenchone (natural), FENCHONE [WHO-DD], (1R)-1,3,3-Trimethylbicyclo(2.2.1)heptan-2-one, UNII-S436YKU51N, (1s)-1,3,3-trimethyl-norbornan-2-one, MFCD00070689, D-FENCHONE [MI], D-FENCHONE [FHFI], FENCHONE, (+)-, CHEBI:165, SCHEMBL856607, (+)-FENCHONE [FCC], 1,3,3-Trimethylbicyclo(2.2.1)heptan-2-one, (1S)-, Bicyclo(2.2.1)heptan-2-one, 1,3,3-trimethyl-, (1S)-, DTXSID60858862, (+)-Fenchone, analytical standard, AKOS015903221, CS-W016296, HY-W015580, TS-09779, (+)-Fenchone 100 microg/mL in Methanol, D90638, EN300-112063, Q27067421, Z1255427411, (+)-Fenchone, purum, >=98.0% (sum of enantiomers, GC) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCC1C2 |
| Np Classifier Class | Fenchane monoterpenoids |
| Deep Smiles | O=C[C@@]C)CC[C@@H]C6C)C))C5 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | OC1CC2CCC1C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 217.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | O=C1CC2CCC1C2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LHXDLQBQYFFVNW-XCBNKYQSSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.9 |
| Rotatable Bond Count | 0.0 |
| Synonyms | (+)-fenchone, d-fenchone |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O |
| Compound Name | (+)-Fenchone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.0014694 |
| Inchi | InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1 |
| Smiles | C[C@]12CC[C@H](C1)C(C2=O)(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Abies Balsamea (Plant) Rel Props:Reference:ISBN:9770976605004 - 2. Outgoing r'ship
FOUND_INto/from Abies Nephrolepis (Plant) Rel Props:Reference:ISBN:9770976605004 - 3. Outgoing r'ship
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FOUND_INto/from Alpinia Zerumbet (Plant) Rel Props:Reference:ISBN:9770976605004 - 9. Outgoing r'ship
FOUND_INto/from Amomum Compactum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
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FOUND_INto/from Magnolia Biondii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 61. Outgoing r'ship
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FOUND_INto/from Magnolia Sieboldii (Plant) Rel Props:Reference:ISBN:9770976605004 - 65. Outgoing r'ship
FOUND_INto/from Magnolia Sprengeri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 66. Outgoing r'ship
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