Select a section from the left sidebar
23-hydroxy-2-tricosanone
- Family: Plantae - Caesalpinioideae
- Kingdom: Plantae
- Class: Fatty Acid
| Canonical Smiles | OCCCCCCCCCCCCCCCCCCCCCC(=O)C |
|---|---|
| InChI | InChI=1S/C23H46O2/c1-23(25)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24/h24H,2-22H2,1H3 |
| InChIKey | WCWNOGDNZBAGSY-UHFFFAOYSA-N |
| Formula | C23H46O2 |
| HBA | 2 |
| HBD | 1 |
| MW | 354.62 |
| Rotatable Bonds | 21 |
| TPSA | 37.3 |
| LogP | 7.37 |
| Number Rings | 0 |
| Number Aromatic Rings | 0 |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Fraction CSP3 | 0.96 |
| Exact Mass | 354.35 |
| Number of Lipinski Rule Violations | 1 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Gilbertiodendron dewevrei | Caesalpinioideae | Plantae | 162777 |
Showing of synonyms
23-hydroxy-2-tricosanone
No compound-protein relationship available.
No scaffolds available.
No bioactivities available.
Absorption
- Caco-2 (logPapp)
- -5.24
- Human Oral Bioavailability 20%
- Non-Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -3.79
- Human Oral Bioavailability 50%
- Non-Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Substrate
- Skin Permeability
- -3.75
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Penetrable
- Fraction Unbound (Human)
- 2.23
- Plasma Protein Binding
- 32.12
- Steady State Volume of Distribution
- -
Metabolism
- Breast Cancer Resistance Protein
- Non-Inhibitor
- CYP 1A2 Inhibitor
- Non-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
- 4.18
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Safe
- Bioconcentration Factor
- 1.3
- Biodegradation
- Toxic
- Carcinogenesis
- Safe
- Crustacean
- Toxic
- Liver Injury I (DILI)
- Safe
- Eye Corrosion
- Toxic
- Eye Irritation
- Toxic
- Maximum Tolerated Dose
- 2.38
- Liver Injury II
- Safe
- hERG Blockers
- Toxic
- Daphnia Maga
- 3.74
- 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
- 6.53
- Rat (Acute)
- 1.31
- Rat (Chronic Oral)
- 2.6
- Fathead Minnow
- 4.28
- 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
- 423.24
- Hydration Free Energy
- -2.89
- Log(D) at pH=7.4
- 5.2
- Log(P)
- 8.42
- Log S
- -5.76
- Log(Vapor Pressure)
- -8.42
- Melting Point
- 97.07
- pKa Acid
- 11.4
- pKa Basic
- 7.72
No predicted protein targets found for this compound.