Hinokitiol - CAS 499-44-5

Catalog: BB026865
Product Name: Hinokitiol
CAS: 499-44-5
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);
Hinokitiol

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Computed Properties
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: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)
InChI Key: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
MDL:MFCD00059582
LogP:1.87580
Refractive Index:1.553

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