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Plaunotol

PubChem CID: 5282197

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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