β-Thujaplicin - CAS 499-44-5
Catalog: |
BB026865 |
Product Name: |
β-Thujaplicin |
CAS: |
499-44-5 |
Synonyms: |
2-hydroxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one |
IUPAC Name: | 2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one |
Description: | Hinokitiol is a natural monoterpenoid isolated from the heartwood cupressaceous plants, displaying antimicrobial activity and being used in cosmetics and tooth pastes. It was shown to induce DNA damage, autophagy and cell cycle arrest in lung cancer cells, indicating its anticancer effects. In cerebral ischemic rats, treatment with hinokitiol (0.2 and 0.5 mg/kg; intraperitoneally) 30 min before MCAO dose dependently attenuated cerebral ischemia and improved neurobehavioral deficits. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CC(C)C1=CC(=O)C(=CC=C1)O |
InChI: | InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12) |
InChI Key: | FUWUEFKEXZQKKA-UHFFFAOYSA-N |
Boiling Point: | 140 ℃ (10 mmHg) |
Melting Point: | 50-52 ℃ |
Flash Point: | 128.1°C |
Purity: | > 99.0 % (GC) |
Density: | 1.127 g/cm3 |
Solubility: | water, 1592 mg/L @ 25 °C (est) |
Appearance: | Crystalline solid |
MDL: | MFCD00059582 |
LogP: | 1.87580 |
Refractive Index: | 1.553 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113504092-A | Helicobacter pylori staining kit and application thereof | 20210715 |
AU-2021104084-A4 | Lignin-based nano-film with antibacterial and sunscreen property and preparation method thereof | 20210713 |
CN-113307730-A | Co-crystal of hinokitiol and tert-butyl hydroquinone, preparation method and application thereof | 20210528 |
CN-113336870-A | Tropolone-chitosan derivative and preparation method and application thereof | 20210521 |
CN-113208966-A | Hair loss prevention and hair growth scalp care essence containing hinokitiol and preparation method and application thereof | 20210519 |
PMID | Publication Date | Title | Journal |
25044443 | 20160101 | Hinokitiol induces autophagy in murine breast and colorectal cancer cells | Environmental toxicology |
24900743 | 20130808 | Tropolones as lead-like natural products: the development of potent and selective histone deacetylase inhibitors | ACS medicinal chemistry letters |
23032214 | 20121121 | The furan route to tropolones: probing the antiproliferative effects of β-thujaplicin analogs | Organic & biomolecular chemistry |
23025237 | 20121015 | Synthesis and electrochemistry of organometallic cobaltadithiaazulenes | Inorganic chemistry |
23082579 | 20120301 | In vitro and in vivo anti-plasmodial activity of essential oils, including hinokitiol | The Southeast Asian journal of tropical medicine and public health |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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