O-Geranylconiferyl alcohol
PubChem CID: 6439279
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| Compound Synonyms | O-Geranylconiferyl alcohol, 129350-09-0, (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]prop-2-en-1-ol, DTXSID001347685, (E,E)-3-(4-((3,7-Dimethyl-2,6-octadienyl)oxy)-3-methoxyphenyl)-2-propen-1-ol, 2-Propen-1-ol, 3-(4-((3,7-dimethyl-2,6-octadienyl)oxy)-3-methoxyphenyl)-, (E,E)-, 2-Propen-1-ol, 3-[4-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-3-methoxyphenyl]-, (2E)-, O-GERANYLCONIFERYLALCOHOL, MEGxp0_001032, CHEMBL1800815, SCHEMBL18265473, ACon1_002425, 2-Propen-1-ol, 3-[4-[[(2E)-3,7-dimethyl-2,6-octadienyl]oxy]-3-methoxyphenyl]-, (2E)-, DTXCID601776410, 2-Propen-1-ol, 3-[4-[(3,7-dimethyl-2,6-octadienyl)oxy]-3-methoxyphenyl]-, (E,E)-, (2E)-3-[4-[[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy]-3-methoxyphenyl]-2-propen-1-ol, HY-N3152, AKOS022184937, Conifegrol, >=95% (LC/MS-ELSD), FS-9407, NCGC00169860-01, DB-343933, CS-0023378, BRD-K57441863-001-01-7 |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., Q96RI1 |
| Iupac Name | (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]prop-2-en-1-ol |
| Prediction Hob | 0.0 |
| Xlogp | 5.0 |
| Molecular Formula | C20H28O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UJQXYSRVSXKEES-YIERNNEGSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.74 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.948 |
| Compound Name | O-Geranylconiferyl alcohol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 316.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.53837767826087 |
| Inchi | InChI=1S/C20H28O3/c1-16(2)7-5-8-17(3)12-14-23-19-11-10-18(9-6-13-21)15-20(19)22-4/h6-7,9-12,15,21H,5,8,13-14H2,1-4H3/b9-6+,17-12+ |
| Smiles | CC(=CCC/C(=C/COC1=C(C=C(C=C1)/C=C/CO)OC)/C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aesculus Glabra (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Viburnum Luzonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all