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Myristyl alcohol
- Family: Plantae - Rutaceae
- Kingdom: Plantae
- Class: Fatty Acid
| Canonical Smiles | CCCCCCCCCCCCCCO |
|---|---|
| InChI | InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3 |
| InChIKey | HLZKNKRTKFSKGZ-UHFFFAOYSA-N |
| Formula | C14H30O |
| HBA | 1 |
| HBD | 1 |
| MW | 214.39 |
| Rotatable Bonds | 12 |
| TPSA | 20.23 |
| LogP | 4.68 |
| Number Rings | 0 |
| Number Aromatic Rings | 0 |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Fraction CSP3 | 1.0 |
| Exact Mass | 214.23 |
| Number of Lipinski Rule Violations | 0 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Vepris lecomteana | Rutaceae | Plantae | 1321803 |
Showing of synonyms
Myristyl alcohol
1-TETRADECANOL
Tetradecan-1-ol
112-72-1
Tetradecanol
N-Tetradecan-1-ol
Kalcohl 40
Lanette 14
Alcohol(C14)
Tetradecan1-ol
Tetradecanol (7CI)
Kalcohl 4098
Adol 18
Lorol C 14
Kalcol 4098
Myristyl alcohol [NF]
Conol 1495
HSDB 5168
Tetradecanol-1
Nacol 14-95
NSC-8549
EINECS 204-000-3
EPA Pesticide Chemical Code 001510
Philcohol 1400
Lorol C14
DTXSID9026926
CHEBI:77417
AI3-00943
Epal 14
Myristyl alcohol (NF)
MYRISTYL ALCOHOL [II]
MYRISTYL ALCOHOL [MI]
MYRISTYL ALCOHOL [FCC]
DTXCID406926
MYRISTYL ALCOHOL [HSDB]
27196-00-5
MYRISTYL ALCOHOL [MART.]
NSC8549
MYRISTYL ALCOHOL [USP-RS]
MYRISTYL ALCOHOL [WHO-DD]
4-01-00-01864 (Beilstein Handbook Reference)
MYRISTYL ALCOHOL (II)
MYRISTYL ALCOHOL (MART.)
MYRISTYL ALCOHOL (USP-RS)
NTetradecanol
1tetradecanol
NTetradecanol1
1Hydroxytetradecane
NTetradecyl alcohol
Dytol R52
MYRISTYL ALCOHOL [INCI]
DTXSID0042456
(USEPA/OPP Pesticide Code: 001510)
204-000-3
248-318-0
Einecs 248-318-0
Hlzknkrtkfskgz-uhfffaoysa-n
Tetradecyl alcohol
N-Tetradecanol
Myristic alcohol
N-Tetradecyl alcohol
Lanette K
Loxanol V
N-Tetradecanol-1
1-Hydroxytetradecane
Alfol 14
Dytol R-52
Polyethylene monoalcohol
1-Tetradecyl alcohol
NSC 8549
MFCD00004757
V42034O9PU
C14 alcohol
CAS-112-72-1
C14-15 alcohol
BRN 1742652
UNII-S4827SZE3L
UNII-V42034O9PU
Tetradecylalcohol
EINECS 267-019-6
EINECS 268-107-7
EINECS 272-490-6
EINECS 275-983-4
Myristyl cetyl alcohol
1-Tetradecanol, 97%
SDA 15-060-00
EC 204-000-3
EC 616-261-4
SCHEMBL20286
CHEMBL24022
S4827SZE3L
WLN: Q14
14 OH
EINECS 267-009-1
EINECS 269-790-4
Tox21_201842
Tox21_300538
LMFA05000041
STL453593
AKOS009031495
CS-W004294
HY-W004294
NCGC00164345-01
NCGC00164345-02
NCGC00164345-03
NCGC00254322-01
NCGC00259391-01
BP-30124
DA-59961
1-Tetradecanol, purum, >=95.0% (GC)
NS00002926
T0084
EN300-19955
1-Tetradecanol, Selectophore(TM), >=99.0%
D05097
D77653
Q161683
F7FCB87C-0FA4-412A-BC8C-BE5C952BC1E0
Myristyl alcohol, United States Pharmacopeia (USP) Reference Standard
Myristyl Alcohol, Pharmaceutical Secondary Standard
Certified Reference Material
Pubchem:
8209
Cas:
112-72-1
Zinc:
ZINC000001644076
Chebi:
77417
Nmrshiftdb2:
60019291
Metabolights:
MTBLC77417
Chembl:
CHEMBL24022
Comptox:
DTXSID9026926
CPRiL:
38230
No scaffolds available.
No bioactivities available.
Absorption
- Caco-2 (logPapp)
- -4.78
- Human Oral Bioavailability 20%
- Non-Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -3.45
- Human Oral Bioavailability 50%
- Non-Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Non-Substrate
- Skin Permeability
- -3.49
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Penetrable
- Fraction Unbound (Human)
- 1.57
- Plasma Protein Binding
- 27.9
- Steady State Volume of Distribution
- -
Metabolism
- Breast Cancer Resistance Protein
- Non-Inhibitor
- CYP 1A2 Inhibitor
- Inhibitor
- CYP 1A2 Substrate
- Non-Substrate
- CYP 2C19 Inhibitor
- Non-Inhibitor
- CYP 2C19 Substrate
- Non-Substrate
- CYP 2C9 Inhibitor
- Non-Inhibitor
- CYP 2C9 Substrate
- Non-Substrate
- CYP 2D6 Inhibitor
- Non-Inhibitor
- CYP 2D6 Substrate
- Non-Substrate
- CYP 3A4 Inhibitor
- Non-Inhibitor
- CYP 3A4 Substrate
- Non-Substrate
- OATP1B1
- Non-Inhibitor
- OATP1B3
- Non-Inhibitor
Excretion
- Clearance
- 7.64
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Safe
- Bioconcentration Factor
- 1.9
- Biodegradation
- Toxic
- Carcinogenesis
- Safe
- Crustacean
- Toxic
- Liver Injury I (DILI)
- Safe
- Eye Corrosion
- Toxic
- Eye Irritation
- Toxic
- Maximum Tolerated Dose
- 2.18
- Liver Injury II
- Safe
- hERG Blockers
- Safe
- Daphnia Maga
- 3.39
- Micronucleos
- Safe
- NR-AhR
- Safe
- NR-AR
- Safe
- NR-AR-LBD
- Safe
- NR-Aromatase
- Safe
- NR-ER
- Safe
- NR-ER-LBD
- Safe
- NR-GR
- Safe
- NR-PPAR-gamma
- Safe
- NR-TR
- Safe
- T. Pyriformis
- 5.69
- Rat (Acute)
- 1.17
- Rat (Chronic Oral)
- 2.23
- Fathead Minnow
- 3.9
- Respiratory Disease
- Safe
- Skin Sensitisation
- Toxic
- SR-ARE
- Safe
- SR-ATAD5
- Safe
- SR-HSE
- Safe
- SR-MMP
- Safe
- SR-p53
- Safe
General Properties
- Boiling Point
- 296.33
- Hydration Free Energy
- -2.23
- Log(D) at pH=7.4
- 4.49
- Log(P)
- 6.1
- Log S
- -5.61
- Log(Vapor Pressure)
- -3.92
- Melting Point
- 45.52
- pKa Acid
- 11.71
- pKa Basic
- 6.79
| Protein Name | UniProt ID | Entry Name | Species | #Pharmacophore Points | Probability (0.7 ≤ Tversky Score ≤ 1.0) |
|---|---|---|---|---|---|
| Sodium/potassium-transporting ATPase subunit alpha | Q4H132 | Q4H132_SQUAC | Squalus acanthias | 2 | 0.7475 |
| Methionine aminopeptidase 1 | P53582 | MAP11_HUMAN | Homo sapiens | 2 | 0.7346 |
| TamL | D3Y1I2 | D3Y1I2_9ACTN | Streptomyces sp. 307-9 | 2 | 0.7310 |
| 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase | P9WNH5 | HSAD_MYCTU | Mycobacterium tuberculosis | 2 | 0.7167 |
| Vitamin D-binding protein | P02774 | VTDB_HUMAN | Homo sapiens | 2 | 0.7114 |