Hinokitiol
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Hinokitiol
structure -
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CAS No:
499-44-5
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Formula:
C10H12O2
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Chemical Name:
Hinokitiol
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Synonyms:
2,4,6-Cycloheptatrien-1-one,2-hydroxy-4-(1-methylethyl)-;2,4,6-Cycloheptatrien-1-one,2-hydroxy-4-isopropyl-;2-Hydroxy-4-(1-methylethyl)-2,4,6-cycloheptatrien-1-one;Hinokitiol;2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one;4-Isopropyltropolone;β-Thujaplicin;β-Thujaplicine;β-Isopropyltropolon;IPT;6-Isopropyltropolone;Hyka 1;S-HT;HT-SF;NSC 18804;Kisei Pro-Sol N;Hinokitiol S-HT;beta-Thujaplicin;beta-Thujaplicine;H 0142;2-Hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one;2-Hydroxy-6-(propan-2-yl)cyclohepta-2,4,6-trien-1-one;2-Hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one;772-41-8;333760-35-3;1411673-73-8
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CAS No:
Description
Hinokitiol is a component of essential oils isolated from Chymacyparis obtusa, reduces Nrf2 expression, and decreases DNMT1 and UHRF1 mRNA and protein expression, with anti-infective, anti-oxidative, and anti-tumor activities.
Solid
Beta-thujaplicin is a monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities. It has a role as an antifungal agent, an antibacterial agent, an antiplasmodial drug, an antineoplastic agent and a plant metabolite. It is an enol, a cyclic ketone and a monoterpenoid. It derives from a hydride of a cyclohepta-1,3,5-triene.
Characteristics
37.3
2.1
Solid
1.21 g/cm3
52-52.5 °C
140 °C10 mm Hg(lit.)
128.1±18.5 °C
1.554
1.2 mg/mL at 25 °C
8.98E-05mmHg at 25°C
Safety Information
NONH for all modes of transport
3
22
36
GU4200000
Xn
P264, P270, P301+P312, P330, P501
H302
Drug Information
Organic chemicals that form two or more coordination links with an iron ion. Once coordination has occurred, the complex formed is called a chelate. The iron-binding porphyrin group of hemoglobin is an example of a metal chelate found in biological systems. (See all compounds classified as Iron Chelating Agents.)|Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)|Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity. (See all compounds classified as Antineoplastic Agents, Phytogenic.)
2-hydroxy-4-isopropyl- 2,4,6-cycloheptatriene-1-one
Hinokitiol Use and Manufacturing
Antibacterial additive in foods, cosmetics, eye drops and toothpaste.
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-: ACTIVE
Cosmetics -> Antistatic; Hair conditioning
Computed Properties
Molecular Weight:164.20
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:280
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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