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Euphoscopin G
- Family: Plantae - Euphorbiaceae
- Kingdom: Plantae
-
Class: Terpenoid
- Subclass: Diterpenoid
| Canonical Smiles | CCC(=O)O[C@H]1[C@H](C)C[C@]2([C@H]1/C=C(\C)/[C@H](O)CC(=O)C(/C=C/[C@H]([C@@H]2OC(=O)C)C)(C)C)O |
|---|---|
| InChI | InChI=1S/C25H38O7/c1-8-21(29)32-22-16(4)13-25(30)18(22)11-15(3)19(27)12-20(28)24(6,7)10-9-14(2)23(25)31-17(5)26/h9-11,14,16,18-19,22-23,27,30H,8,12-13H2,1-7H3/b10-9+,15-11+/t14-,16-,18+,19-,22+,23+,25-/m1/s1 |
| InChIKey | AHFHWXQKQDAWMI-SFCXZUONSA-N |
| Formula | C25H38O7 |
| HBA | 7 |
| HBD | 2 |
| MW | 450.57 |
| Rotatable Bonds | 3 |
| TPSA | 110.13 |
| LogP | 3.13 |
| Number Rings | 2 |
| Number Aromatic Rings | 0 |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Fraction CSP3 | 0.72 |
| Exact Mass | 450.26 |
| Number of Lipinski Rule Violations | 0 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Euphorbia helioscopia | Euphorbiaceae | Plantae | 154990 |
Showing of synonyms
Euphoscopin G
- Mohamed AH, Hegazy MF, et al. (2012). Euphorbia helioscopia: Chemical constituents and biological activities. International Journal of Phytopharmacology,2012,3(1),78-90. [View]
Pubchem:
162926923
No compound-protein relationship available.
SMILES: C1CCC(C12)CCC=CCC(=O)CCC=C2
Level: 0
Mol. Weight: 450.57 g/mol
No bioactivities available.
Absorption
- Caco-2 (logPapp)
- -4.41
- Human Oral Bioavailability 20%
- Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -4.75
- Human Oral Bioavailability 50%
- Non-Bioavailable
- P-Glycoprotein Inhibitor
- Inhibitor
- P-Glycoprotein Substrate
- Non-Substrate
- Skin Permeability
- -2.08
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Penetrable
- Fraction Unbound (Human)
- 0.59
- Plasma Protein Binding
- 69.76
- 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
- 8.47
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Toxic
- Bioconcentration Factor
- -0.43
- Biodegradation
- Safe
- Carcinogenesis
- Toxic
- Crustacean
- Safe
- Liver Injury I (DILI)
- Safe
- Eye Corrosion
- Safe
- Eye Irritation
- Safe
- Maximum Tolerated Dose
- 0.85
- Liver Injury II
- Toxic
- hERG Blockers
- Safe
- Daphnia Maga
- 6.72
- Micronucleos
- Toxic
- NR-AhR
- Safe
- NR-AR
- Safe
- NR-AR-LBD
- Safe
- NR-Aromatase
- Safe
- NR-ER
- Safe
- NR-ER-LBD
- Safe
- NR-GR
- Toxic
- NR-PPAR-gamma
- Safe
- NR-TR
- Safe
- T. Pyriformis
- -28.62
- Rat (Acute)
- 3.28
- Rat (Chronic Oral)
- 2.09
- Fathead Minnow
- 3.95
- Respiratory Disease
- Toxic
- Skin Sensitisation
- Safe
- SR-ARE
- Safe
- SR-ATAD5
- Safe
- SR-HSE
- Safe
- SR-MMP
- Safe
- SR-p53
- Safe
General Properties
- Boiling Point
- 413.2
- Hydration Free Energy
- -3.64
- Log(D) at pH=7.4
- 1.89
- Log(P)
- 3.44
- Log S
- -3.67
- Log(Vapor Pressure)
- -7.94
- Melting Point
- 145.34
- pKa Acid
- 8.37
- pKa Basic
- 3.44
No predicted protein targets found for this compound.