Farnesyl acetone, (5Z,9Z)-
PubChem CID: 1711942
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| Compound Synonyms | cis,cis-Farnesylacetone, (5Z,9Z)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one, Farnesyl acetone, (5Z,9Z)-, 3796-69-8, UNII-14671Z3OX6, FEMA No. 3442, (5Z,9Z)-, Farnesylacetone, 14671Z3OX6, 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (Z,Z)-, 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (5Z,9Z)-, (z,z)-farnesylacetone, (5Z,9Z)-farnesyl acetone, SCHEMBL14236824, LTUMRKDLVGQMJU-VHSABMJYSA-N, AKOS015901891, Q27251586 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 352.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z,9Z)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C18H30O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LTUMRKDLVGQMJU-VHSABMJYSA-N |
| Fcsp3 | 0.6111111111111112 |
| Logs | -4.462 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.045 |
| Compound Name | Farnesyl acetone, (5Z,9Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 262.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.3759093999999985 |
| Inchi | InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11-,17-13- |
| Smiles | CC(=CCC/C(=C\CC/C(=C\CCC(=O)C)/C)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agrimonia Pilosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Scutellaria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients