Hinokitiol

Category	Virus Protease
CAS	499-44-5
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.

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Synonyms	hinokitiol;499-44-5;beta-Thujaplicin;4-Isopropyltropolone;Hinokitol;beta-Thujaplicine;Isopropyltropolone;THUJAPLICIN, BETA;Tropolone, 4-isopropyl-;.beta.-Thujaplicin;beta-Isopropyltropolon;2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one;2-Hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-one;2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-;beta-Isopropyltropolone;.beta.-Isopropyltropolon;NSC 18804;.beta.-Thujaplicine;2-Hydroxy-4-(1-methylethyl)-2,4,6-cycloheptatrien-1-one;2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one;NSC18804;CHEMBL48310;MLS001048906;2-hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one;Hinokitiol 4-Isopropyltropolone;U5335D6EBI;2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-4-ISOPROPYL-;2-Hydroxy-4-isopropyl-2,4,6-cyclohepta-2,4,6-trien-1-one;CHEBI:10447;MFCD00040180;NSC-18804;SMR000387099;\|A-Thujaplicin;2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trien-1-one;?-Thujaplicin;EINECS 207-880-7;BRN 2045206;UNII-U5335D6EBI;b-Thujaplicin;AI3-28398;\|A-thujaplici;beta -thujaplicin;beta -thujaplicine;6-Isopropyl-tropolon;Thujaplicin, .beta.;2-hydroxy-4-isopropyl- 2,4,6-cycloheptatriene-1-one;4-isopropyl-tropolone;beta -isopropyltropolon;beta-Thujaplicin, 99%;4(6)-Isopropyltropolone;NCIMech_000141;cid_3611;HINOKITIOL [WHO-DD];BSPBio_001025;KBioGR_000365;KBioSS_000365;4-08-00-00488 (Beilstein Handbook Reference);BIDD:ER0491;SCHEMBL158795;SPECTRUM1505160;2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one;DTXSID6043911;BDBM79632;FUWUEFKEXZQKKA-UHFFFAOYSA-;KBio2_000365;KBio2_002933;KBio2_005501;KBio3_000709;KBio3_000710;WLN: L7VJ BQ DY1&1;.BETA.-THUJAPLICIN [MI];AMY3994;Bio2_000343;Bio2_000823;GLXC-10286;HMS1362C07;HMS1792C07;HMS1990C07;HMS2269D23;HMS3403C07;HY-B2230;BBL036671;BDBM50330794;CCG-35378;s4771;STL559050;AKOS015895184;AKOS037515521;CS-7724;KS-5297;IDI1_002098;QTL1_000044;NCGC00094565-01;NCGC00094565-02;NCGC00094565-03;NCGC00094565-04;NCGC00094565-05;NCGC00179338-01;NCI60_001565;SY052139;DB-051705;H0142;NS00003151;C09904;C75327;D04876;EN300-222362;beta-Thujaplicin, SAJ special grade, >=99.0%;2-Hydroxy-4-isopropyl-2,6-cycloheptatrien-1-one;2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone;A923788;SR-01000737397;2,6-Cycloheptatrien-1-one, 2-hydroxy-4-isopropyl-;2-hydroxy-4-isopropyl-cyclohepta2,4,6-trien-1-one;J-521461;Q2705171;SR-01000737397-2;2-Hydroxy-4-isopropyl-2,4, 6-cycloheptatrien-1-one;BRD-K37691127-001-02-2;2-hydroxy-6-propan-2-yl-1-cyclohepta-2,4,6-trienone;2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one;Z1255485978;2,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-;(2E,4Z,6Z)-2-hydroxy-4-isopropylcyclohepta-2,4,6-trienone;2-Hydroxy-4(6)-(1-methylethyl)-2,4,6-cycloheptatrien-1-one, 9CI;InChI=1/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12);
IUPAC Name	2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
Molecular Weight	164.20
Molecular Formula	C10H12O2
Canonical SMILES	O=C1C(O)=CC(C(C)C)=CC=C1
InChI	InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
InChIKey	FUWUEFKEXZQKKA-UHFFFAOYSA-N
Boiling Point	140 °C (10 mmHg)
Melting Point	50-52 °C
Flash Point	128.1°C
Purity	> 99.0 % (GC)
Density	1.127 g/cm³
Solubility	water, 1592 mg/L @ 25 °C (est)
Appearance	Solid
Complexity	280
Exact Mass	164.083729621