1-Pentadecanol
PubChem CID: 12397
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| Compound Synonyms | 1-PENTADECANOL, pentadecan-1-ol, 629-76-5, Pentadecyl alcohol, Pentadecanol, n-Pentadecanol, n-1-Pentadecanol, Alfol 15, n-pPentadecanol, 31389-11-4, Neodol 5, UNII-333QVA4G2Q, MFCD00004759, Pentadecanol-(1), 333QVA4G2Q, DTXSID0027270, CHEBI:77468, EINECS 211-107-9, NSC 66446, NSC-66446, AI3-33881, DTXCID207270, 1-pentadecanol (ACD/Name 4.0), n-pentadecyl alcohol, CAS-629-76-5, nPentadecanol, n1Pentadecanol, 1-Pentadecanol, 99%, SCHEMBL29548, CHEMBL26561, PENTADECYL ALCOHOL [INCI], AAA62976, NSC66446, EINECS 267-006-5, Tox21_201699, Tox21_300553, LMFA05000194, STL453722, AKOS009031435, CS-W004295, HY-W004295, NCGC00164169-01, NCGC00164169-02, NCGC00164169-03, NCGC00254478-01, NCGC00259248-01, BP-30139, DA-59955, PD166618, SY049687, NS00013962, P0036, EN300-20042, H10901, Q27146999, F0001-1704, 1991DA79-7140-48B0-9F03-1E3D88AC4F28 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCCCCCCCCCO |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Fatty acyls |
| Description | Pentadecanol is a C-15 fatty alcohol Very long chain fatty alcohols (VLCFA), obtained from plant waxes and beeswax have been reported to lower plasma cholesterol in humans. They can be found in unrefined cereal grains, beeswax, and many plant-derived foods. Reports suggest that 5?20 mg per day of mixed C24?C34 alcohols, including octacosanol and triacontanol, lower low-density lipoprotein (LDL) cholesterol by 21%?29% and raise high-density lipoprotein cholesterol by 8%?15%. Wax esters are hydrolyzed by a bile salt?dependent pancreatic carboxyl esterase, releasing long chain alcohols and fatty acids that are absorbed in the gastrointestinal tract. Studies of fatty alcohol metabolism in fibroblasts suggest that very long chain fatty alcohols, fatty aldehydes, and fatty acids are reversibly inter-converted in a fatty alcohol cycle. The metabolism of these compounds is impaired in several inherited human peroxisomal disorders, including adrenoleukodystrophy and Sj?gren-Larsson syndrome. [HMDB]. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 112.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10275 |
| Iupac Name | pentadecan-1-ol |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.8 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | REIUXOLGHVXAEO-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 1.0 |
| Logs | -6.236 |
| Rotatable Bond Count | 13.0 |
| State | Solid |
| Logd | 3.9 |
| Synonyms | (C12-C18)-Alkyl alcohol, 1-Pentadecanol, 1-Pentadecanol (acd/name 4.0), Alcohols, C12-18, Alcohols, C14-16, n-1-Pentadecanol, N-pentadecanol, N-ppentadecanol, Neodol 5, Pentadecan-1-ol, Pentadecanol, Pentadecanol-(1), Pentadecyl alcohol, N-1-Pentadecanol, N-Pentadecanol, N-Ppentadecanol, 1-pentadecanol, n-pentadecanol, pentadecan-1-ol, pentadecanol, pentadecanol* |
| Substituent Name | Long chain fatty alcohol, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aliphatic acyclic compound |
| Esol Class | Moderately soluble |
| Functional Groups | CO |
| Compound Name | 1-Pentadecanol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 228.41 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -4.537303999999999 |
| Inchi | InChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCO |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Long-chain fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
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