alpha-Amyl cinnamaldehyde
PubChem CID: 1712058
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-Benzylideneheptanal, Jasminaldehyde, Flomine, Jasminal, Amyl cinnamal, alpha-Amyl cinnamaldehyde, 2-Pentylcinnamaldehyde, Jasmine aldehyde, 122-40-7, alpha-Amylcinnamaldehyde, Amylcinnamaldehyde, Amylcinnamal, Pentylcinnamaldehyde, Heptanal, 2-(phenylmethylene)-, 2-(Phenylmethylene)heptanal, Amyl cinnamic aldehyde, (2Z)-2-benzylideneheptanal, Amylcinnamic acid aldehyde, Heptanal, 2-benzylidene-, alpha-Pentyl-beta-phenylacrolein, alpha-Amyl-beta-phenylacrolein, alpha-Amylcinnamicaldehyde, alpha-Amylcinnamic aldehyde, NSC 6649, FEMA No. 2061, Heptanal, 2-(phenylmethylene), CCRIS 1342, alpha-Pentylcinnamaldehyde, alpha-Amylcinnamaldehyde (natural), CINNAMALDEHYDE, alpha-PENTYL-, cis-Jasminaldehyde, EINECS 204-541-5, EINECS 215-565-0, 2-(Phenylmethylene)-heptanal, Amylcinnamic aldehyde, BRN 0511292, .alpha.-Amyl cinnamic aldehyde, 101365-33-7, Cinnamaldehyde, .alpha.-pentyl-, AI3-00658, HSDB 8003, .alpha.-Amylcinnamaldehyde, (Z)-2-benzylideneheptanal, .alpha.-Pentylcinnamaldehyde, Cinnamaldehyde, .alpha.-amyl-, CHEBI:32318, 06T2G22P2C, WC51CA3418, .alpha.-Amyl-.beta.-phenylacrolein, 2-07-00-00310 (Beilstein Handbook Reference), Heptanal, 2-(phenylmethylene)-, (2Z)-, 2-pentyl-3-phenyl-2-propenal, alpha-amylcinnamal, a-amylcinnamaldehyde, alpha-n-Amylcinnamaldehyde, 2-(phenylmethylidene)heptanal, .alpha.-Amylcinnamic aldehyde, DTXCID409157, DTXSID8029157, alpha-amyl cinnamic aldehyde, jasminaldehyd, jasmonal, Floxine, Flosal, NSC-6649, UNII-WC51CA3418, NCGC00166216-01, 2-benzylidene-heptanal, +/--Amylcinnamaldehyde, 2-Propenal, 3-phenyl-, monopentyl deriv, a-Pentyl-b-phenylacrolein, alpha-n-amyl cinnamaldehyde, alpha-Pentyl-Cinnamaldehyde, .ALPHA.-AMYLCINNAMAL, a-Pentylcinnamaldehyde, 8CI, (Z)-alpha-amylcinnamaldehyde, .alpha.-n-Amylcinnamaldehyde, alpha-n-amylcinnamic aldehyde, AMYL CINNAMAL [INCI], UNII-06T2G22P2C, alpha-Amylcinnamaldehyde, cis-, AMYL BETA-PHENYLACROLEIN, .alpha.-n-Amylcinnamic aldehyde, alpha-Amylcinnamaldehyde, (Z)-, CHEMBL1611291, FEMA 2061, (2Z)-2-(phenylmethylene)heptanal, 2-(Phenylmethylene)heptanal, 9CI, 2-Pentyl-3-phenyl-2-propenal #, alpha-Amyl-alpha-amylcinnamaldehyde, AMYL .BETA.-PHENYLACROLEIN, DTXSID001044960, CINNAMALDEHYDE, ALPHA-AMYL-, AAA12240, (2Z)-2-(phenylmethylidene)heptanal, STK208488, ALPHA-AMYLCINNAMALDEHYDE [FCC], (2Z)-2-Pentyl-3-phenyl-2-propenal, AKOS000120887, 3-PENTYL-3-PHENYL-2-PROPENAL, DB14175, .ALPHA.-AMYLCINNAMALDEHYDE, CIS-, NCGC00166216-02, .ALPHA.-AMYLCINNAMALDEHYDE [FHFI], .ALPHA.-AMYLCINNAMALDEHYDE, (Z)-, NS00099407, EN300-21040491, Q27114867, , A-Amylcinnamaldehyde pound mixture of cis and trans pound(c), 204-541-5 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCCCC/C=C/cccccc6)))))))/C=O |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Cinnamaldehydes |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 199.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02545 |
| Iupac Name | (2Z)-2-benzylideneheptanal |
| Class | Cinnamaldehydes |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 4.2 |
| Superclass | Phenylpropanoids and polyketides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H18O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | HMKKIXGYKWDQSV-KAMYIIQDSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Synonyms | alpha-Pentylcinnamaldehyde, a-Pentylcinnamaldehyde, Α-pentylcinnamaldehyde, a-Amylcinnamaldehyde, Α-amylcinnamaldehyde, alpha-Amylcinnamic aldehyde, 2-Pentylcinnamaldehyde, (2Z)-2-Benzylideneheptanal, (2Z)-2-Pentyl-3-phenyl-2-propenal, 2-(Phenylmethylene)-heptanal, 2-(Phenylmethylene)heptanal, 2-(Phenylmethylene)heptanal, 9ci, 2-Benzylidene-heptanal, 2-Benzylideneheptanal, 2-Propenal, 3-phenyl-, monopentyl deriv, a-Pentyl-b-phenylacrolein, a-Pentylcinnamaldehyde, 8ci, alpha-Amyl cinnamaldehyde, alpha-Amyl-alpha-amylcinnamaldehyde, alpha-Amyl-beta-phenylacrolein, alpha-Amylcinnamaldehyde, alpha-Amylcinnamicaldehyde, alpha-N-Amylcinnamaldehyde, alpha-N-Amylcinnamic aldehyde, alpha-Pentyl-beta-phenylacrolein, alpha-Pentyl-cinnamaldehyde, Amyl cinnamal, Amyl cinnamic aldehyde, Amylcinnamal, Amylcinnamaldehyde, Amylcinnamic acid aldehyde, Amylcinnamic aldehyde, FEMA 2061, Flomine, Heptanal, 2-(phenylmethylene), Jasmal, Jasminal, Jasminaldehyde, Jasmine aldehyde, Pentylcinnamaldehyde, Pentyl cinnamaldehyde, α-n-amylcinnamic aldehyde |
| Esol Class | Soluble |
| Functional Groups | c/C=C(/C)C=O |
| Compound Name | alpha-Amyl cinnamaldehyde |
| Kingdom | Organic compounds |
| Exact Mass | 202.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 202.29 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11- |
| Smiles | CCCCC/C(=C/C1=CC=CC=C1)/C=O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Cinnamaldehydes |
- 1. Outgoing r'ship
FOUND_INto/from Plumeria Rubra (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1617