Compound Summary
Compound Information
药名: | 2-Pentanone,4-hydroxy-4-methyl- |
别名: | Diacetone-alcool [French]; 4-Hydroxy-4-methyl-pentan-2-on; Q7WP157PTD; Diacetonalcohol [Dutch]; ST51047025; 4-Hydroxy-4-methylpentanone; 2-Methyl-2-pentanol-4-one; Diacetonalkohol(german); NCGC00249012-01; J-515493; J-004939; 4474AA; HSDB 1152; Diacetone; 4-Idrossi-4-metil-pentan-2-one [Italian]; CJ-26683; WLN: QX1 & 1 & 1V1; AC1L1L91; Dimethyl acetonyl carbinol; CHEBI:55381; 4-Hydroxy-4-methyl-pentan-2-on [German, Dutch]; 123-42-2; NSC 9005; SCHEMBL28494; Tox21_201266; BG00599981; Pyranton A; 2-pentanone, 4-hydroxy-4-methyl; Acetonyldimethylcarbinol; CTK0H6771; InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H; 4-Hydroxy-4-methyl-pentan-2-on(GERMAN, DUTCH); 4-Hydroxy-2-keto-4-methylpentane; AKOS005721167; SWXVUIWOUIDPGS-UHFFFAOYSA-N; Diacetonalcool; AJ-28761; FT-0624587; Diacetonalkohol; MolPort-001-779-725; CJ-05952; Diacetonalkohol [German]; 4-Methyl-4-hydroxy-2-pentanone; NCGC00258818-01; S14-1442; KS-00000WT8; RTR-003687; Diketone alcohol; F0001-0366; BRN 1740440; 4-Hydroxy-4-methyl pentan-2-one; CCRIS 6177; LS-681; SBB009084; Jsp001572; (CH3)2C(OH)CH2C(O)CH3; DSSTox_RID_77580; DSSTox_GSID_24917; 2-Pentanone, 4-hydroxy-4-methyl-; 4-Hydroxy-4-methylpentan-2-one; 4-methyl-4-oxidanyl-pentan-2-one; AC1Q1K47; 2-Hydroxy-2-methyl-4-pentanone; Pentanone, 4-hydroxy-4-methyl-; CAS-123-42-2; ANW-61448; AK-41308; MCULE-2623560163; TR-003687; NCGC00257419-01; Diacetone alcohol; Diacetone Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material; BB_NC-2286; AN-43481; 4-Hydroxy-4-methyl-2-pentanone, analytical standard; UN 1148; BBL027463; 4-01-00-04023 (Beilstein Handbook Reference); Tyranton; 4-Idrossi-4-metil-pentan-2-one; ZINC1648359; EINECS 204-626-7; Diacetone alcohol [UN1148] [Flammable liquid]; 2-Methyl-3-pentanol-4-one; KSC176O7D; RL01069; NSC-9005; 171962-EP2281810A1; Tox21_303479; Pyraton; 4-Hydroxy-4-methyl-2-pentanone, 99%; Hydroxy-4-methyl-2-pentanone; ACMC-1BVXG; MFCD00004471; 4-hydroxy-4-methyl-pentan-2-one; UNII-Q7WP157PTD; Diacetone-alcool; CHEMBL3182048; 4-Hydroxy-4-methylpentanone-2; NSC9005; LMFA12000071; EPA Pesticide Chemical Code 033901; 4-Methyl-2-pentanon-4-ol; KB-39088; Diacetonealcool; Caswell No. 280; 4-hydroxy4-methyl-2-pentanone; STL146354; UN1148; Pyranton; A805073; EC 204-626-7; Diacetone alcohol [UN1148] [Flammable liquid]; Diacetonyl alcohol; DTXSID6024917; Diacetonalcool [Italian]; AI3-00045; 4-HYDROXY-4-METHYL-2-PENTANONE; DSSTox_CID_4917; SC-80179; Diacetonalcohol; Diacetone-alcool [French]; 2-Pentanone, 4-hydroxy-4-methyl-; Acetonyldimethylcarbinol; ZINC01648359; 4-Hydroxy-4-methyl-pentan-2-on; 4-Hydroxy-4-methylpentan-2-one; H41544_ALDRICH; InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H; 31450_FLUKA; 4-hydroxy-4-methyl-pentan-2-one; 2-Hydroxy-2-methyl-4-pentanone; 4-Hydroxy-2-keto-4-methylpentane; Diacetone-alcool; Diacetonalcohol [Dutch]; 4-Hydroxy-4-methylpentanone-2; 4-Hydroxy-4-methylpentanone; NSC9005; 2-Methyl-2-pentanol-4-one; EPA Pesticide Chemical Code 033901; 24220_RIEDEL; Diacetonalcool; Caswell No. 280; 4-Hydroxy-4-methyl-2-pentanone; UN1148; Diacetonalkohol; Pyranton; Diacetonalkohol [German]; HSDB 1152; Diacetone alcohol; Diacetonyl alcohol; Diacetone; 4-Idrossi-4-metil-pentan-2-one [Italian]; WLN: QX1 & 1 & 1V1; Diacetonalcool [Italian]; Dimethyl acetonyl carbinol; AI3-00045; 4-Hydroxy-4-methyl-pentan-2-on [German, Dutch]; Diketone alcohol; 4-01-00-04023 (Beilstein Handbook Reference); Diacetone alcohol [UN1148] [Flammable liquid]; 4-Idrossi-4-metil-pentan-2-one; EINECS 204-626-7; 123-42-2; 4-Hydroxy-4-methyl pentan-2-one; BRN 1740440; CCRIS 6177; NSC 9005; SBB009084; Diacetonalcohol; Pyranton A; Tyranton; 4-hydroxy-4-methyl-2-pentanone |
分子式: | C6H12O2 |
Smiles: | CC(=O)CC(C)(C)O |
成分: | HBIN006300;HBIN047437;HBIN023547;HBIN010490 |
OB_score: | 58.33645 |
CAS_id: | 123-42-2 |
SymMap_id: | SMIT05586;SMIT01991 |
TCMID_id: | 40587;32973;24050 |
TCMSP_id: | MOL003527 |
PubChem_id: | 31256 |
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 |
|---|
| TCMBANKHE003718 | Flos Chrysanthemi | 菊花 | To dispel wind-heat, to subdue hyperactivity of the liver, and improve eyesight./Angina pectoris, hypertension, externally contracted wind-heat, wind warmth, fever and headache, dizziness, common cold, red eyes, red eyes with gall, swelling toxin of clove sore. | |||
| TCMBANKHE003726 | Cortex Cinmomi | 肉桂 | To supplement body fire, reinforce yang, and lead the fire back to the kidney, to dispel cold and relieve pain, and to activate blood circulation and stimulate menstrual discharge./Impotence, uterus cold, cold pain in lumbus and knees, kidney vacuity asthma, yang vacuity dizziness, red eyes and sore pharynx, cold pain in heart and abdomen, vacuity cold vomiting and diarrhea, cold mounting, running piglet, amenorrhea, dysmenorrhea. | |||
| TCMBANKHE003782 | Fructus Corni | 山茱萸 | To replenish the liver and kidney, restrain seminal discharge and relieve collapse./Dizziness and tinnitus, aching in lumbus and knees, impotence and emission, enuresis and frequent urination, flooding and spotting with vaginal discharge, vacuity and profuse sweating, vacuity desertion due to great sweating, diabetes mellitus due to internal heat, dysmenorrhea. | |||
| TCMBANKHE004497 | Semen Raphani | 莱菔子 | To promote digestion and relieve abdominal distension, and to relieve cough and resolve phlegm./Food stagnation, distending pain in stomach duct, constipation, accumulation and diarrhea, phlegm congestion cough asthma. | |||
| TCMBANKHE004862 | Lignum Dalbergiae odoriferae Rosewood | 降香 | To relieve pain by promoting the circulation of qi and blood, and to arrest bleeding./Shortening the plasma recalcification time in rabbits. | |||
| TCMBANKHE005929 | Radix et Rhizoma Notopterygii | 羌活 | To relieve pain and rheumatic conditions./Externally contracted wind-cold, headache without sweating, wind-cold-damp impediment, edema, toxin swelling of sores. | |||
| TCMBANKHE005793 | Flos Chrysanthemi | 菊花 | To dispel wind-heat, to subdue hyperactivity of the liver, and improve eyesight./Angina pectoris, hypertension, externally contracted wind-heat, wind warmth, fever and headache, dizziness, common cold, red eyes, red eyes with gall, swelling toxin of clove sore. | |||
| TCMBANKHE008018 | Semen Litchi | 荔枝核 | To promote the flow of qi and the subsidence of induration, and to dispel cold and relieve pain./Mounting qi pain, painful swollen testes, premenstrual abdominal pain, postpartum abdominal pain. | |||
| TCMBANKHE007746 | Succinus | 琥珀;西琥珀 | 1. Treatment of infantile convulsions and epilepsy. Amber (Hupo) is used with Centipede (Wugong) and Scorpion (Quanxie). 2. Treatment of palpitations, insomnia and dream-disturbed sleep. Amber (Hupo) is used with Wild jujube seed (Suanzaoren) and Multiflower knotweed (Yejiaoteng). 3. Treatment of dysmenorrhea or amenorrhea due to blood stagnation. Amber (Hupo) is used with Chinese angelica root (Danggui), Zedoary (Ezhu) and Lindera root (Wuyao) in the formula Hupo San. 4. Treatment of urinary tract disorders manifested as frequent urination, painful urination, bloody urine or calculus formation in the urinary tract. Amber (Hupo) is used with Lysimachia (Jinqiancao), Clematis stem (Mutong) and Imperata rhizome (Baimaogen)./Sedative and diuretic. | |||
| TCMBANKHE005628/YEM-121 | Fructus Chaenomelis|Chaenomeles speciosa (Sweet) Nakai | 木瓜|皱皮木瓜 | 木瓜 | 云南民族药物志：第一卷 | To lessen contracture, regulate stomach function, and dispel damp./Vomiting and diarrhea with cramp, wind-damp impediment pain, cough and abundant phlegm, diarrhea, dysentery, painful wound from knocks and falls, beriberi with edema. | 傣族/景颇族/苗族/彝族/藏族 |
| TCMBANKHE005716/YEM-243 | Semen Canbis;Fructus Canbis;Fructus cannabis|Cannabis sativa L. | 火麻仁;麻子仁|大麻 | 大麻 | 云南民族药物志：第二卷 | To cause Taxation.;Purging by moisterizing/Blood and liquid depletion, intestinal dry and constipation. | 阿昌族/傣族/德昂族/哈尼族/景颇族/傈僳族/苗族/彝族/藏族 |
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 |
|---|
| TCMBANKGE000469 | CTSD | CLN10; CPSD; HEL-S-130P | cathepsin D |
| TCMBANKGE000766 | ACHE | ACEE; ARACHE; N-ACHE; YT | acetylcholinesterase (Cartwright blood group) |
| TCMBANKGE000813 | DPP4 | ADABP; ADCP2; CD26; DPPIV; TP103 | dipeptidyl peptidase 4 |
| TCMBANKGE000830 | GOT2 | KAT4; KATIV; KYAT4; mitAAT | glutamic-oxaloacetic transaminase 2 |
| TCMBANKGE000903 | PTGS1 | COX1; COX3; PCOX1; PES-1; PGG/HS; PGHS-1; PGHS1; PHS1; PTGHS | prostaglandin-endoperoxide synthase 1 |
| TCMBANKGE000994 | AKR1B1 | ADR; ALDR1; ALR2; AR | aldo-keto reductase family 1 member B |
| TCMBANKGE001142 | CHDH | - | choline dehydrogenase |
| TCMBANKGE001890 | ME2 | ODS1 | malic enzyme 2 |
| TCMBANKGE003342 | GATM | AGAT; AT; CCDS3 | glycine amidinotransferase |
| TCMBANKGE008126 | TPI1 | HEL-S-49; TIM; TPI; TPID | triosephosphate isomerase 1 |
| TCMBANKGE008718 | PRSS3 | MTG; PRSS4; T9; TRY3; TRY4 | serine protease 3 |
| TCMBANKGE009256 | SLC6A2 | NAT1; NET; NET1; SLC6A5 | solute carrier family 6 member 2 |
| TCMBANKGE011079 | PRSS1 | TRP1; TRY1; TRY4; TRYP1 | serine protease 1 |
| TCMBANKGE011438 | OTC | OCTD | ornithine carbamoyltransferase |
| TCMBANKGE012101 | GOT1 | AST1; ASTQTL1; GIG18; cAspAT; cCAT | glutamic-oxaloacetic transaminase 1 |
| TCMBANKGE014015 | BCHE | BCHED; CHE1; CHE2; E1 | butyrylcholinesterase |
| TCMBANKGE014050 | GABRA1 | ECA4; EIEE19; EJM; EJM5 | gamma-aminobutyric acid type A receptor subunit alpha1 |
| TCMBANKGE014656 | ABAT | GABA-AT; GABAT; NPD009 | 4-aminobutyrate aminotransferase |
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