Turmerone
PubChem CID: 14367555
Connections displayed (default: 10).
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| Compound Synonyms | (S)-Turmerone, CHEBI:81132, (6S)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-4-one, 2-Hepten-4-one, 2-methyl-6-(4-methyl-1,4-cyclohexadien-1-yl)-, (6S)-, 56485-42-8, (s)-(+)-turmerone, CHEMBL2272665, C17494, Q27155090, 866-576-8 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 352.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6S)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FZPYMZUVXJUAQA-ZDUSSCGKSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -4.291 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.44 |
| Compound Name | Turmerone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.027608 |
| Inchi | InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,8-9,13H,6-7,10H2,1-4H3/t13-/m0/s1 |
| Smiles | CC1=CCC(=CC1)[C@@H](C)CC(=O)C=C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Acacia Arabica (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Acacia Armata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Acacia Aroma (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Acacia Aulacocarpa (Plant) Rel Props:Reference: - 7. Outgoing r'ship
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FOUND_INto/from Acacia Cambagei (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Acacia Catechu (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Acacia Caven (Plant) Rel Props:Reference: - 13. Outgoing r'ship
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FOUND_INto/from Acacia Ferruginea (Plant) Rel Props:Reference: - 20. Outgoing r'ship
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FOUND_INto/from Acacia Lenticularis (Plant) Rel Props:Reference: - 27. Outgoing r'ship
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FOUND_INto/from Acacia Melanoxylon (Plant) Rel Props:Reference: - 31. Outgoing r'ship
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FOUND_INto/from Vachellia Karroo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 191. Outgoing r'ship
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