cis-Cinnamic acid
PubChem CID: 5372954
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| Compound Synonyms | cis-Cinnamic acid, 102-94-3, Allocinnamic acid, (Z)-3-Phenyl-2-propenoic acid, (Z)-Cinnamic acid, Isocinnamic acid, (Z)-3-phenylacrylic acid, (Z)-3-phenylprop-2-enoic acid, cis-.beta.-Carboxystyrene, Cinnamic acid, cis-, Cinnamic acid, (Z)-, cis-Zimtsaeure, (2Z)-3-Phenyl-2-propenoic acid, 2-Propenoic acid, 3-phenyl-, (Z)-, cis-beta-Carboxystyrene, (2Z)-3-phenylprop-2-enoic acid, (2Z)-3-phenylacrylic acid, CHEBI:35699, DTXSID001019000, NSC 174025, NSC-174025, Cinnamylic acid, Benzenepropenoic acid, Benzylideneacetic acid, 3-phenylacrylate, propenoic acid, 3-phenyl-, 3-Phenyl-2-propenoic acid, 3-phenyl-2-propenoate, Benzenepropenoate, 3-phenylpropenoate, 3-phenyl-acrylate, Cinnamic acid, Z-, 3-phenyl-acrylic acid, (Z)-3-phenylacrylicacid, Z-3-phenylpropenoic acid, YB7ZGY8NE2, cinnamic acid, (Z)-isomer, (z)-3-phenylpropenoic acid, (Z)-3-phenyl-acrylic acid, (E)-3-phenyl-2-propenoate, SCHEMBL3406486, DTXCID60875837, NSC174025, EN300-303926, G54506, AE-641/00423049, Q4062664, 4A1A7420-128A-4E80-8089-0DE48F7A0DB3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| 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=O)/C=Ccccccc6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Cinnamic acids and derivatives |
| Description | Cinnamic acid is a white crystalline hydroxycinnamic acid, which is slightly soluble in water. It is obtained from oil of cinnamon, or from balsams such as storax. cis-Cinnamic acid is found in chinese cinnamon. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cinnamic acids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-3-phenylprop-2-enoic acid |
| Prediction Hob | 1.0 |
| Class | Cinnamic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.1 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Cinnamic acids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H8O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WBYWAXJHAXSJNI-SREVYHEPSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -1.956 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 1.505 |
| Synonyms | (2Z)-3-Phenyl-2-propenoic acid, (2Z)-3-Phenylacrylic acid, (2Z)-3-Phenylprop-2-enoic acid, (Z)-3-Phenyl-2-propenoic acid, (Z)-Cinnamic acid, 2-Propenoic acid, 3-phenyl-, (Z)-, Allocinnamic acid, Cinnamic acid, (Z)-, cis-&beta, -Carboxystyrene, cis-beta-Carboxystyrene, cis-Cinnamic acid, Isocinnamic acid, Z-Cinnamic acid, (2Z)-3-Phenyl-2-propenoate, (2Z)-3-Phenylacrylate, (Z)-3-Phenyl-2-propenoate, (Z)-Cinnamate, &beta, -Phenylacrylic acid, 2-Propenoic acid, 3-phenyl-, 3-Phenyl-2-propenoate, 3-Phenyl-2-propenoic acid, 3-Phenyl-acrylate, 3-Phenyl-acrylic acid, 3-Phenylacrylate, 3-Phenylacrylic acid, 3-Phenylprop-2-enoic acid, 3-Phenylpropenoate, 3-Phenylpropenoic acid, b-Phenylacrylic acid, Benzeneacrylic acid, Benzenepropenoate, Benzenepropenoic acid, Benzylideneacetic acid, beta-Phenylacrylic acid, Cinnamate, Cinnamic acid, 8CI, Cinnamylic acid, cis-b-Carboxystyrene, cis-Cinnamate, cis-Zimtsaeure, cis-β-carboxystyrene, FEMA 2288, Phenylacrylate, Phenylacrylic acid, Phenylethylenecarboxylic acid, cis-Β-carboxystyrene, Cinnamic acid, 1-(13)C-labeled CPD, Cinnamic acid, 13C-labeled CPD, trans-Cinnamic acid, (e)-Cinnamic acid, 2-(14)C-labeled CPD, Cinnamic acid, (Z)-isomer, Cinnamic acid, (trans)-(e)-isomer, Cinnamic acid, 14C-labeled CPD, Cinnamic acid, 3H-labeled CPD (Z)-isomer, Cinnamic acid, sodium salt, Cinnamic acid, sodium salt(Z)-isomer, Sodium cinnamate, e-Z Cinnamic acid, Cinnamic acid, 2-(13)C-labeled CPD, Cinnamic acid, 2-(14)C-labeled CPD, Cinnamic acid, 3-(14)C-labeled CPD, Cinnamic acid, radical ion(1-), e-Cinnamic acid, Cinnamic acid, 1-14C-labeled CPD, Cinnamic acid, 14C-labeled CPD (e)-isomer, Cinnamic acid, 3H-labeled CPD (e)-isomer, Cinnamic acid, ion(1-), Cinnamic acid, ion(1-)-(e)-isomer, Cinnamic acid, nickel (+2) salt, Cinnamic acid, potassium salt, Cinnamic acid, sodium salt(e)-isomer, Cinnamic acid, zinc salt(e)-isomer, Tritium labeled (e)-cinnamic acid, Tritium labeled (Z)-cinnamic acid, (e)-3-Phenyl-2-propenoate, (e)-3-Phenyl-2-propenoic acid, (Z)-3-Phenylacrylic acid, Β-phenylacrylic acid, Cinnamic acid, (z)-cinnamic acid |
| Esol Class | Soluble |
| Functional Groups | c/C=CC(=O)O |
| Compound Name | cis-Cinnamic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 148.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 148.16 |
| 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 | -2.3721345636363633 |
| Inchi | InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6- |
| Smiles | C1=CC=C(C=C1)/C=C\C(=O)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Cinnamic acids |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Koreanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Callicarpa Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 11. Outgoing r'ship
FOUND_INto/from Capsicum Frutescens (Plant) Rel Props:Source_db:fooddb_chem_all - 12. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Chaenomeles Speciosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 15. Outgoing r'ship
FOUND_INto/from Cinnamomum Cassia (Plant) Rel Props:Source_db:npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Cinnamomum Tamala (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644123 - 17. Outgoing r'ship
FOUND_INto/from Cinnamomum Verum (Plant) Rel Props:Source_db:fooddb_chem_all - 18. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Coffea Arabica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Coffea Canephora (Plant) Rel Props:Source_db:npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:fooddb_chem_all - 25. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:fooddb_chem_all - 26. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all - 27. Outgoing r'ship
FOUND_INto/from Fragaria Ananassa (Plant) Rel Props:Source_db:npass_chem_all - 28. Outgoing r'ship
FOUND_INto/from Harpagophytum Procumbens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 29. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all - 30. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Laurus Nobilis (Plant) Rel Props:Source_db:fooddb_chem_all - 32. Outgoing r'ship
FOUND_INto/from Liquidambar Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 34. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 35. Outgoing r'ship
FOUND_INto/from Origanum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all - 36. Outgoing r'ship
FOUND_INto/from Phyllanthus Emblica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 37. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all - 38. Outgoing r'ship
FOUND_INto/from Pseudostellaria Heterophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 39. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:fooddb_chem_all - 40. Outgoing r'ship
FOUND_INto/from Rheum Coreanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 41. Outgoing r'ship
FOUND_INto/from Rheum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 42. Outgoing r'ship
FOUND_INto/from Rheum Palmatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 43. Outgoing r'ship
FOUND_INto/from Rheum Tanguticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 44. Outgoing r'ship
FOUND_INto/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 45. Outgoing r'ship
FOUND_INto/from Ribes Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all - 46. Outgoing r'ship
FOUND_INto/from Ribes Rubrum (Plant) Rel Props:Source_db:npass_chem_all - 47. Outgoing r'ship
FOUND_INto/from Rubus Chingii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 48. Outgoing r'ship
FOUND_INto/from Rubus Coreanus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 49. Outgoing r'ship
FOUND_INto/from Rubus Idaeus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 50. Outgoing r'ship
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FOUND_INto/from Scrophularia Ningpoensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 54. Outgoing r'ship
FOUND_INto/from Scutellaria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 55. Outgoing r'ship
FOUND_INto/from Styrax Benzoin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 56. Outgoing r'ship
FOUND_INto/from Styrax Tonkinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 57. Outgoing r'ship
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FOUND_INto/from Vaccinium Macrocarpon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 59. Outgoing r'ship
FOUND_INto/from Vaccinium Myrtillus (Plant) Rel Props:Source_db:fooddb_chem_all - 60. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all - 61. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 62. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients