Plaunotol
PubChem CID: 5282197
Connections displayed (default: 10).
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| Compound Synonyms | plaunotol, 64218-02-6, Kelnac, Plaunotolum, CS-684, 18-hydroxygeranylgeraniol, (E,Z,E)-7-Hydroxymethyl-3,11,15-trimethyl-2,6,10,14-hexadecatetraen-1-ol, (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol, CHEBI:32023, MV715X4634, (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-6-methylocta-2,6-diene-1,8-diol, 2,6-Octadiene-1,8-diol, 2-[(3e)-4,8-dimethyl-3,7-nonadienyl]-6-methyl-, (2Z,6E)-, Plaunotolum [Latin], Plaunotol [INN:JAN], CS 684, Kelnac, Kelnac (TN), UNII-MV715X4634, Plaunotol (JAN/INN), PLAUNOTOL [INN], PLAUNOTOL [JAN], PLAUNOTOL [MI], PLAUNOTOL [MART.], PLAUNOTOL [WHO-DD], 2,6-Octadiene-1,8-diol, 2-(4,8-dimethyl-3,7-nonadienyl)-6-methyl-, (Z,E,E)-, SCHEMBL440334, CHEMBL285815, SUWYPNNPLSRNPS-UNTSEYQFSA-N, DTXSID701024319, AKOS016014100, LMPR0104010010, (2Z,6E)-2-((3E)-4,8-Dimethyl-3,7-nonadienyl)-6-methyl-2,6-octadiene-1,8-diol, 2,6,10,14-HEXADECATETRAEN-1-OL, 7-(HYDROXYMETHYL)-3,11,15-TRIMETHYL-, (E,Z,E)-, DA-76953, HY-106789, CS-0026557, D01803, Q27114751 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 407.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C20H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SUWYPNNPLSRNPS-UNTSEYQFSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.304 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.892 |
| Compound Name | Plaunotol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 306.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -4.391038000000001 |
| Inchi | InChI=1S/C20H34O2/c1-17(2)8-5-9-18(3)10-6-12-20(16-22)13-7-11-19(4)14-15-21/h8,10,13-14,21-22H,5-7,9,11-12,15-16H2,1-4H3/b18-10+,19-14+,20-13- |
| Smiles | CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/CO)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
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