Compound Summary


  Compound Information

药名:

Mesityloxid

别名:

Oxyde de mesityle; Oxyde de mesityle [French]; Acetone, isopropylidene-; Ossido di mesitile [Italian]; Methyl 2,2-dimethylvinyl ketone; 3-Isohexen-2-one; UN1229; Methyl isobutenyl ketone; InChI=1/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H; Mesityloxid [German]; 3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE; 2-Methyl-2-penten-4-one; 4-Methyl-3-pentene-2-one; 2-Methyl-4-oxo-2-pentene; ZINC01670856; 4-01-00-03471 (Beilstein Handbook Reference); 4-Methyl-3-penten-2-one; Isobutenyl methyl ketone; Isopropylideneacetone; NSC38717; EINECS 205-502-5; Mesityloxyde [Dutch]; 4-Methylpent-3-en-2-one; Mesityl oxide; AI3-07702; EPA Pesticide Chemical Code 052401; FEMA No. 3368; 2-Methyl-2-pentenone-4; FEMA Number 3368; Mesityloxyde; Ossido di mesitile; ST5214461; 4-Methyl-3-penten-2-on; 281832_ALDRICH; 4-Metil-3-penten-2-one [Italian]; BRN 1361550; 4-Metil-3-penten-2-one; Mesityl oxide [UN1229] [Flammable liquid]; WLN: 1Y1 & U1V1; 141-79-7; 4-Methyl-3-penten-2-on [Dutch, German]; Caswell No. 547; W336807_ALDRICH; 2,2-Dimethylvinyl methyl ketone; 63940_FLUKA; 3-Penten-2-one, 4-methyl-; HSDB 1195; Isopropylidene acetone; Methyl 2-methyl-1-propenyl ketone; NSC 38717;TR-005373; CHEBI:89993; MCULE-4922478422; CJ-07569; SC-47106; InChI=1/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H; Mesityloxid [German]; CTK3J4711; 4-Methyl-3-penten-2-one, analytical reference material; KB-78313; Isobutenyl methyl ketone; 2-Methyl-4-oxo-2-pentene; NSC38717; RP18648; 4-methyl-pent-3-en-2-one; NCGC00259629-01; Mesityloxyde [Dutch]; Mesityl oxide, 90%, remainder 4-methyl-4-penten-2-one; FEMA No. 3368; MolPort-000-872-030; BG00599844; LS-2950; BRN 1361550; Caswell No. 547; Tox21_202080; HSDB 1195; Isopropylidene acetone; EC 205-502-5; MESITYL OXIDE; Oxyde de mesityle; A807813; Ossido di mesitile [Italian]; AC1L1RU7; KS-00000WGV; 7471AF; 3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE; M1340; 1-Methylpent-2-en-4-one; NCGC00257514-01; 4-Methyl-3-penten-2-one; KSC494O1D; S14-1428; 3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE; 2-methylpent-2-en-4-one; 3-Penten-2-one,4-methyl-; AN-43889; M0069; AKOS000118892; FEMA 3368; TRA0020647; 4-Methyl-3-penten-2-on; 4-Metil-3-penten-2-one [Italian]; DSSTox_RID_78697; Mesityloxid(german); SHOJXDKTYKFBRD-UHFFFAOYSA-N; 4-Methyl-3-penten-2-on [Dutch, German]; RTR-005373; Methyl 2-methyl-1-propenyl ketone; 3-Penten-2-one, 4-methyl-; 4-Methyl-3-penten-2-on(DUTCH, GERMAN); Cilastatin Impurity D (Mesityl Oxide); 4-Methyl-3-penten-2-one (mesityl oxide); LMFA12000030; 4-Methyl-3-penten-2-one, 90%; Oxyde de mesityle [French]; Methyl 2,2-dimethylvinyl ketone; Mesityloxid; Methyl isobutenyl ketone; UN1229; BB_NC-2260; Isopropylideneacetone; CHEMBL3185916; ACMC-1BOEP; (CH3)2C=CHC(=O)CH3; Mesityl oxide, technical grade, 90%; DTXSID1029170; 4-Methyl-3-penten-2-one, 9CI; MFCD00008900; 2-Methyl-2-pentenone-4; Ossido di mesitile; Mesityl oxide, suitable for neutral marker for measuring electroosmotic flow (EOF), ~98%; Mesityl Oxide, Pharmaceutical Secondary Standard; Certified Reference Material; UNII-77LAC84669; NCGC00249161-01; Q-201356; Mesityl oxide, mixture of alpha- and beta-isomers; Mesityl oxide [UN1229] [Flammable liquid]; STL146350; FT-0628235; NSC 38717; AC1Q1JB3; Mesityl oxide [UN1229] [Flammable liquid]; Acetone, isopropylidene-; Mesityl oxide, European Pharmacopoeia (EP) Reference Standard; 77LAC84669; 3-Isohexen-2-one; 2-Methyl-2-penten-4-one; 4-Methyl-3-pentene-2-one; Jsp002461; EINECS 205-502-5; 4-Methylpent-3-en-2-one; Tox21_303606; SBB040870; AI3-07702; Mesityloxyde; EPA Pesticide Chemical Code 052401; FEMA Number 3368; Isopropylidene-Acetone; CAS-141-79-7; CJ-32144; DSSTox_CID_9170; 4-Metil-3-penten-2-one; UN 1229; BBL027732; WLN: 1Y1 & U1V1; NSC-38717; 141-79-7; ANW-41508; 2,2-Dimethylvinyl methyl ketone; DSSTox_GSID_29170; ZINC100019800; Mesityl oxide, technical, 90%, remainder 4-methyl-4-penten-2-one 100ml

分子式:

C6H10O

Smiles:

CC(=CC(=O)C)C

成分:

HBIN034787;HBIN009449;HBIN010671

OB_score:

50.931914

CAS_id:

141-79-7

SymMap_id:

SMIT11960;SMIT02105

TCMID_id:

40418;24352

TCMSP_id:

MOL011001

PubChem_id:

8858


   化合物对应的植物
植物ID 拉丁名 药用植物名 药名 来源 功能与主治 使用民族
TCMBANKHE001149 Caulis Mahoniae 功劳木 To remove dimp-heat, quench fire, and counteract toxicity./Berberine is the main active component with an action similar to Rhizoma Coptidis. Another active component, isotetrandrine, is an anticarcinogenic agent.
TCMBANKHE003943 Herba Cirsii Japonici;Radix Cirsii Japonici;Herba seu Radix Cirsii japonici 大蓟 To arrest bleeding by reducing heat in the blood, to remove blood stasis, and to promote the subsidence of swelling.;Treatment of epistaxis, spitting of blood, hematuria, hematochezia, abnormal uterine bleeding, traumatic bleeding, carbuncles and sores./1. Its decoction can lower blood pressure2. Inhibiting the growth of (a)-streptococcus3. Shortening the bleeding time.4. Anti-inflammatory5. Diuretic.
TCMBANKHE003952 Folium Rhododendri Daurici 满山红 Acute bronchitis, chronic bronchitis.
TCMBANKHE004154 Ardisiae japonicae 矮地茶 1. To eliminate phlegm and relieving cough.2. To promote diuresis to deprive dampness. 3. To activate blood circulation and stop bleeding./1. Bergenin, an active comonent, is an expectorant. 2. Its volatile oil or flavone can relieve bronchospasm induced by histamine in vitro. 3. Its decoction inhibits the growth of Pneumococcus, Staphylococcus aureus and influenza virus in vitro.
TCMBANKHE004515 Hericium erinaceus 猴头菇 To benefit vital Qi, invigorate the spleen and nourish the stomach. For hypofunction of the spleen and stomach, peptic ulcer and chronic gastritis. Recently, also used for the cancers of erophagus, stomach and intestines./To benefit vital Qi, invigorate the spleen and nourish the stomach. For hypofunction of the spleen and stomach, peptic ulcer and chronic gastritis. Recently, also used for the cancers of erophagus, stomach and intestines.
TCMBANKHE008697 Caulis Aristolochiae seu Clematis 木通 1. To promote water metabolism and relieve abnormal urination; 2. To clear heat and promote lactation/Acute urethritis, short voidings of reddish urine, strangury-turbidity, edema, nephritis with edema, galactostasis, heat vexation in chest, throat pain, mouth sore, tongue sores, wind-damp impediment pain, galactostasis, amenorrhea, dysmenorrhea.

   植物对应的疾病
疾病ID 病名 疾病类型 MeSH 参考文献

   化合物对应的靶点
靶点ID 基因名 基因别名 描述
TCMBANKGE003342 GATM AGAT; AT; CCDS3 glycine amidinotransferase
TCMBANKGE008718 PRSS3 MTG; PRSS4; T9; TRY3; TRY4 serine protease 3
TCMBANKGE011079 PRSS1 TRP1; TRY1; TRY4; TRYP1 serine protease 1