Cinnamyl alcohol
PubChem CID: 5315892
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | cinnamyl alcohol, 104-54-1, 3-phenylprop-2-en-1-ol, 3-PHENYL-2-PROPEN-1-OL, cinnamic alcohol, 4407-36-7, (E)-3-phenylprop-2-en-1-ol, trans-cinnamyl alcohol, (E)-cinnamyl alcohol, Styryl carbinol, Zimtalcohol, 3-Phenylallyl alcohol, Styrone, Styryl alcohol, 2-Propen-1-ol, 3-phenyl-, Styrylcarbinol, (E)-3-Phenyl-2-propen-1-ol, Phenyl-2-propen-1-ol, FEMA No. 2294, (2E)-3-phenylprop-2-en-1-ol, Chnnamyl alcohol, Alkohol skoricovy, gamma-Phenylallyl alcohol, 3-Phenyl-2-propenol, Cinnamic alcohol (natural), 1-Phenylprop-1-en-3-ol, CCRIS 3191, HSDB 5011, 3-Fenyl-2-propen-1-ol, UNII-SS8YOP444F, NSC 8775, EINECS 203-212-3, SS8YOP444F, Propenoic acid, 3-phenyl-, (trans)-, 2-Propen-1-ol, 3-phenyl-, (E)-, BRN 1903999, 2-Propen-y1-ol, 3-phenyl-, trans-Cinnamyl-alcohol, CHEBI:33227, AI3-00949, NSC-8775, NSC-623440, CHEMBL324794, DTXCID7021491, DTXSID9041491, CHEBI:17177, (E)-3-phenyl-prop-2-en-1-ol, EC 203-212-3, 1-06-00-00281 (Beilstein Handbook Reference), 1-PHENYL-3-HYDROXY-1-PROPENE, 3-HYDROXY-1-PHENYLPROP-1-ENE, NCGC00166097-01, 3-phenyl-2-propene-1-ol, Alkohol skoricovy [Czech], trans-cinnamic alcohol, CAS-104-54-1, .gamma.-Phenylallyl alcohol, 3-Fenyl-2-propen-1-ol [Czech], MFCD00002921, cinnamyl-alcohol, E-cinnamyl alcohol, E-Cinnamic alcohol, (E)-Cinnam Alcohol, trans cinnamyl alcohol, Cinnamyl alcohol purum, 2-Propen-1-ol, 3-phenyl-, (2E)-, Cinnamyl alcohol, 98%, bmse010256, Epitope ID:150920, WLN: Q2U1R, SCHEMBL39219, CINNAMYL ALCOHOL [MI], CINNAMYL ALCOHOL [FCC], CINNAMYL ALCOHOL [FHFI], Cinnamyl alcohol, >=98%, FG, NSC8775, trans-3-phenyl-prop-2-en-1-ol, CINNAMYL ALCOHOL [WHO-DD], (2E)-3-Phenyl-2-propen-1-ol, DTXSID301314144, HY-N1867, HY-Y0078, Tox21_112313, Tox21_300847, BBL027413, BDBM50310446, Cinnamyl alcohol, analytical standard, NSC623440, s5824, STL146348, AKOS005265255, Cinnamyl alcohol, natural, 96%, FG, DB14186, FC30865, NCGC00254750-01, BS-14235, DA-62334, DA-70007, FP159401, PROPENOIC ACID, 3-PHENYL-(TRANS), Cinnamyl alcohol, purum, >=97.0% (GC), CS-0008356, NS00127411, EN300-19335, C02394, E75786, EN300-367325, SBI-0654044.0001, Cinnamyl alcohol, Vetec(TM) reagent grade, 98%, (E)-3-phenyl-2-propen-1-ol(E)-cinnamyl alcohol, Q204030, SR-01000944721, SR-01000944721-1, Z104473562, CINNAMYL ALCOHOL (CONSTITUENT OF CINNAMOMUM CASSIA BARK), CINNAMYL ALCOHOL (CONSTITUENT OF CINNAMOMUM VERUM BARK), CINNAMYL ALCOHOL (CONSTITUENT OF CINNAMOMUM CASSIA BARK) [DSC], CINNAMYL ALCOHOL (CONSTITUENT OF CINNAMOMUM VERUM BARK) [DSC], InChI=1/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4, 203-212-3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Cinnamic acids and derivatives |
| Deep Smiles | OC/C=C/cccccc6 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Cinnamyl alcohols |
| Description | Constituent of storax and Peruvian balsam, mainly as ester of Cinnamic acid. Flavouring. Stabiliser. trans-Cinnamyl alcohol is found in many foods, some of which are chinese mustard, italian sweet red pepper, alfalfa, and canada blueberry. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O00204, P22309, Q91ZY1, O42713, O60656, Q9Y4X1, P47989, n.a. |
| Iupac Name | (E)-3-phenylprop-2-en-1-ol |
| Prediction Hob | 1.0 |
| Class | Cinnamyl alcohols |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 1.9 |
| Superclass | Phenylpropanoids and polyketides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H10O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OOCCDEMITAIZTP-QPJJXVBHSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.1111111111111111 |
| Logs | -1.324 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 1.799 |
| Synonyms | (2E)-3-Phenyl-2-propen-1-ol, (2E)-3-Phenylprop-2-en-1-ol, (E)-3-Phenyl-2-propen-1-ol, (E)-Cinnamyl alcohol, 3-Phenyl-2-propen-1-ol, E-Cinnamic alcohol, E-Cinnamyl alcohol, trans-Cinnamyl alcohol, (e)-3-Phenyl-2-propen-1-ol, Styrylcarbinol, (e)-Cinnamyl alcohol, e-Cinnamic alcohol, e-Cinnamyl alcohol, 3-Phenyl-2-propene-1-ol, Cinnamyl alcohol, titanium (4+) salt, Cinnamic alcohol, 3-Phenylprop-2-en-1-ol, Cinnamyl alcohol, Cinnamyl alcohol, (e)-isomer, (e)-cinnamyl alcohol, (e)-cinnamyl-alcohol, cinnamic alcohol, cinnamic-alcohol, cinnamyl alcohol, cinnamyl-alcohol, cinnarnyl alcohol |
| Substituent Name | Cinnamyl alcohol, Phenylpropene, Styrene, Benzenoid, Monocyclic benzene moiety, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aromatic homomonocyclic compound |
| Esol Class | Soluble |
| Functional Groups | CO, c/C=C/C |
| Compound Name | Cinnamyl alcohol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 134.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 134.17 |
| 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 |
| Esol | -2.2124036 |
| Inchi | InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+ |
| Smiles | C1=CC=C(C=C1)/C=C/CO |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Cinnamyl alcohols |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Fischeri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Apocynum Androsaemifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700690 - 5. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Cananga Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<235::aid-ffj733>3.0.co;2-t - 8. Outgoing r'ship
FOUND_INto/from Chrysopogon Zizanioides (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199703)12:2<63::aid-ffj614>3.0.co;2-z - 9. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Cinnamomum Camphora (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199703)12:2<63::aid-ffj614>3.0.co;2-z - 11. Outgoing r'ship
FOUND_INto/from Cinnamomum Cassia (Plant) Rel Props:Source_db:npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Cinnamomum Tamala (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644123 - 13. Outgoing r'ship
FOUND_INto/from Cinnamomum Verum (Plant) Rel Props:Source_db:fooddb_chem_all - 14. Outgoing r'ship
FOUND_INto/from Cistus Creticus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698549 - 15. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<235::aid-ffj733>3.0.co;2-t - 16. Outgoing r'ship
FOUND_INto/from Citrus Paradisi (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1376 - 17. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1376 - 18. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701025 - 19. Outgoing r'ship
FOUND_INto/from Cymbopogon Citratus (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<235::aid-ffj733>3.0.co;2-t - 20. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199701)12:1<15::aid-ffj604>3.0.co;2-5 - 21. Outgoing r'ship
FOUND_INto/from Espeletia Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Gardenia Jasminoides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700609 - 23. Outgoing r'ship
FOUND_INto/from Hedychium Coronarium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060310 - 24. Outgoing r'ship
FOUND_INto/from Hyacinthus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Lagascea Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Lamium Album (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/15818489 - 27. Outgoing r'ship
FOUND_INto/from Lantana Camara (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199703)12:2<63::aid-ffj614>3.0.co;2-z - 28. Outgoing r'ship
FOUND_INto/from Liquidambar Formosana (Plant) Rel Props:Reference:ISBN:9780387706375 - 29. Outgoing r'ship
FOUND_INto/from Liquidambar Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Liquidambar Styraciflua (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698328 - 31. Outgoing r'ship
FOUND_INto/from Magnolia Champaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9700493 - 32. Outgoing r'ship
FOUND_INto/from Mimusops Elengi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698425 - 33. Outgoing r'ship
FOUND_INto/from Muntingia Calabura (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700655 - 34. Outgoing r'ship
FOUND_INto/from Narcissus Tazetta (Plant) Rel Props:Source_db:npass_chem_all - 35. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<235::aid-ffj733>3.0.co;2-t - 36. Outgoing r'ship
FOUND_INto/from Pelargonium Roseum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199703)12:2<63::aid-ffj614>3.0.co;2-z - 37. Outgoing r'ship
FOUND_INto/from Persicaria Hydropiper (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 38. Outgoing r'ship
FOUND_INto/from Phlegmariurus Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 39. Outgoing r'ship
FOUND_INto/from Picea Abies (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/8219046 - 40. Outgoing r'ship
FOUND_INto/from Pimpinella Anisum (Plant) Rel Props:Reference:ISBN:9780896038776 - 41. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199703)12:2<63::aid-ffj614>3.0.co;2-z - 42. Outgoing r'ship
FOUND_INto/from Plumeria Rubra (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090612 - 43. Outgoing r'ship
FOUND_INto/from Premna Serratifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700905 - 44. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700131 - 45. Outgoing r'ship
FOUND_INto/from Pulmonaria Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 46. Outgoing r'ship
FOUND_INto/from Rosa Davurica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050212 - 47. Outgoing r'ship
FOUND_INto/from Rosa Rugosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 48. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<235::aid-ffj733>3.0.co;2-t - 49. Outgoing r'ship
FOUND_INto/from Sedum Integrifolium (Plant) Rel Props:Reference:ISBN:9788172363093 - 50. Outgoing r'ship
FOUND_INto/from Stellera Chamaejasme (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 51. Outgoing r'ship
FOUND_INto/from Styrax Benzoin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 52. Outgoing r'ship
FOUND_INto/from Styrax Tonkinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 53. Outgoing r'ship
FOUND_INto/from Syzygium Jambos (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697916 - 54. Outgoing r'ship
FOUND_INto/from Tetracera Alnifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 55. Outgoing r'ship
FOUND_INto/from Vaccinium Corymbosum (Plant) Rel Props:Source_db:fooddb_chem_all;npass_chem_all - 56. Outgoing r'ship
FOUND_INto/from Vaccinium Myrtillus (Plant) Rel Props:Source_db:fooddb_chem_all - 57. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199703)12:2<63::aid-ffj614>3.0.co;2-z