Coniferyl Alcohol
PubChem CID: 1549095
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CONIFERYL ALCOHOL, 458-35-5, Coniferol, 32811-40-8, 4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenol, (E)-Coniferyl alcohol, trans-Coniferyl alcohol, gamma-Hydroxyisoeugenol, (e)-coniferol, Coniferyl alcohol, E-, 4-Hydroxy-3-methoxycinnamic alcohol, 3-(4-Hydroxy-3-methoxyphenyl)-2-propen-1-ol, 4-(3-Hydroxy-1-propenyl)-2-methoxyphenol, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, 4-Hydroxy-3-methoxycinnamyl alcohol, Coniferyl alcohol [MI], UNII-E7SM92591P, trans-coniferol, CHEBI:17745, 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenol, E7SM92591P, Coniferylic alcohol, MFCD00002922, E-Coniferyl alcohol, .gamma.-Hydroxyisoeugenol, 4-(3-Hydroxy-1-propen-1-yl)-2-methoxyphenol, 4-((1E)-3-Hydroxy-1-propenyl)-2-methoxyphenol, 4-[(1E)-3-Hydroxy-1-propenyl]-2-methoxyphenol, 2-Propen-1-ol, 3-(4-hydroxy-3-methoxyphenyl)-, p-Hydroxy-m-methoxycinnamyl alcohol, Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy-, Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy-, (E)-, 3-(4-Hydroxy-3-methoxyphenyl)allyl alcohol, EINECS 207-277-9, 2-Propen-1-ol, 3-(4-hydroxy-3-methoxyphenyl), (E)-, 4-((1E)-3-HYDROXY-1-PROPEN-1-YL)-2-METHOXYPHENOL, PHENOL, 4-((1E)-3-HYDROXY-1-PROPENYL)-2-METHOXY-, 2-PROPEN-1-OL, 3-(4-HYDROXY-3-METHOXYPHENYL)-, (E)-, 4-hydroxy-3-methoxy cinnamyl alcohol, AI3-36149, 4-[3-Hydroxy-1-propenyl]-2-methoxyphenol, 4-((1E)-3-hydroxyprop-1-en-1-yl)-2-methoxyphenol, DTXSID9060029, Coniferyl?alcohol, CONIFERYL-ALCOHOL, Coniferyl Alcohol1512, epsilon-coniferyl alcohol, 4-(3-hydroxyprop-1-enyl)-2-methoxyphenol, Coniferyl alcohol, 98%, Coniferyl Alcohol Phenolic, bmse000602, bmse010248, bmse010285, Epitope ID:116871, (E)-4-(3-hydroxyprop-1-enyl)-2-methoxyphenol, SCHEMBL177683, CHEMBL501870, DTXCID7040447, HY-N4283A, DTXSID50186489, 4e70, HBA81140, HY-N4283, AKOS005258118, FC69901, PS-4366, AC-34753, DB-342518, 4-(3-hydroxy-1-propenyl)-2-methoxy-Phenol, CS-0032634, NS00031560, S6429, C00590, D93191, EN300-1857771, EN300-6472482, (E)-4-(3 -hydroxyprop-1-enyl)-2-methoxyphenol, 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenol, Q418993, (E) 3-(4-hydroxy-3-methoxyphenyl)-2-Propen-1-ol, (E)-4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenol, F8420572-6986-4EF3-917B-3298FD384F2C, 207-277-9 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Cinnamic acids and derivatives |
| Deep Smiles | OC/C=C/cccccc6)OC)))O |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P30041, n.a., Q9Y6L6, Q9NPD5 |
| Iupac Name | 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Class | Phenols |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.4 |
| Superclass | Benzenoids |
| Subclass | Methoxyphenols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H12O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JMFRWRFFLBVWSI-NSCUHMNNSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.2 |
| Logs | -1.146 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | 1.364 |
| Synonyms | (e)-Coniferol, 4-(3-Hydroxy-1-propenyl)-2-methoxyphenol, 4-[(1E)-3-Hydroxy-1-propenyl]-2-methoxyphenol, trans-Coniferol, trans-Coniferyl alcohol, Coniferol, (e) 3-(4-Hydroxy-3-methoxyphenyl)-2-propen-1-ol, 3-(4-Hydroxy-3-methoxyphenyl)-2-propen-1-ol, 3-(4-Hydroxy-3-methoxyphenyl)allyl alcohol, 4-((1E)-3-Hydroxy-1-propenyl)-2-methoxyphenol, 4-(3-Hydroxy-1-propenyl)-2-methoxy-phenol, 4-Hydroxy-3-methoxycinnamic alcohol, 4-Hydroxy-3-methoxycinnamyl alcohol, 4-[(1E)-3-Hydroxyprop-1-en-1-yl]-2-methoxyphenol, Coniferyl-alcohol, Coniferylic alcohol, e-Coniferyl alcohol, gamma-Hydroxyisoeugenol, p-Hydroxy-m-methoxycinnamyl alcohol, (e)-4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenol, (e)-Coniferyl alcohol, 3-(4-Hydroxy-3-methoxyphenyl)-2-propenol, 3-(p-Hydroxy-m-methoxyphenyl)-2-propen-1-ol, 4-(3-Hydroxy-1-propen-1-yl)-2-methoxyphenol, 4-[(1E)-3-Hydroxy-1-propen-1-yl]-2-methoxyphenol, 4-[(e)-3-Hydroxy-1-propenyl]-2-methoxyphenol, trans-3-(4-Hydroxy-3-methoxyphenyl)-2-propen-1-ol, Γ-hydroxyisoeugenol, Coniferyl alcohol, coniferyl alcohol |
| Esol Class | Soluble |
| Functional Groups | CO, c/C=C/C, cO, cOC |
| Compound Name | Coniferyl Alcohol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 180.2 |
| 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 | -2.2284970615384614 |
| Inchi | InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+ |
| Smiles | COC1=C(C=CC(=C1)/C=C/CO)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Methoxyphenols |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Acalypha Hispida (Plant) Rel Props:Reference:https://doi.org/10.3923/ip.2011.144.148 - 2. Outgoing r'ship
FOUND_INto/from Acorus Gramineus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Acorus Tatarinowii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Arctium Lappa (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/12162547 - 7. Outgoing r'ship
FOUND_INto/from Asparagus Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/15730266 - 9. Outgoing r'ship
FOUND_INto/from Blumea Lacera (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172361792 - 10. Outgoing r'ship
FOUND_INto/from Coix Lacryma-Jobi (Plant) Rel Props:Source_db:npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Cyamopsis Tetragonoloba (Plant) Rel Props:Reference:ISBN:9788172362133 - 12. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Fragaria Vesca (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3095 - 14. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Morus Bombycis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Sambucus Williamsii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Swertia Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Tabernaemontana Divaricata (Plant) Rel Props:Reference:ISBN:9788172362300 - 19. Outgoing r'ship
FOUND_INto/from Urtica Dioica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Xanthium Spinosum (Plant) Rel Props:Reference:ISBN:9788185042145 - 21. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all