Compound Summary


  Compound Information

药名:

Arctiin

别名:

4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxolanone; 2-(hydroxymethyl)-6-methyloxane-3,4,5-triol; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl]tetrahydrofuran-2-one; AIDS-002468; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]methyl]-2-tetrahydrofuranone; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]methyl]oxolan-2-one; 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-, (3R-trans)- (9CI); Arctiin (8CI); 2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(b-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3R,4R)-; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one; AIDS002468; (3R,4R)-4-(3,4-dimethoxybenzyl)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzyl]tetrahydrofuran-2-one; NSC 315527; ACon1_001261; 4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one; 2-(hydroxymethyl)-6-methyl-oxane-3,4,5-triol; MEGxp0_000527; A814488

分子式:

C27H34O11

Smiles:

c1(OC([H])([H])[H])c([H])c(C([H])([H])[C@@]2([H])C(=O)OC([H])([H])[C@]2([H])C([H])([H])c3c([H])c(OC([H])([H])[H])c(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H]) c([H])c3[H])c([H])c([H])c1OC([H])([H])[H]

成分:

HBIN016620

OB_score:

34.448475

CAS_id:

20362-31-6

SymMap_id:

SMIT00057

TCMID_id:

1623

TCMSP_id:

MOL000522

PubChem_id:

100528


   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
TCMBANKHE002499 Rhizoma Ahemones Daddeae 两头尖 To relieve rheumatic conditions, and to cure carbuncle./Treatment of rheumatoid arthritis with muscular contracture and joint pain, carbuncle with ulceration.
TCMBANKHE002688 Semen armeniacae amarum 苦杏仁 To relieve cough and asthma, and to relax bowels./Treatment of cough and asthma accompanied by stuffiness in the chest and profuse expectoration, constipation due to deficiency of blood and fluid.
TCMBANKHE003265 牛蒡茎叶
TCMBANKHE003799 Fructus Forsythiae 连翘 To remove toxic heat, to cause subsidence of sweeling,and to eliminate modulation./Influenza in early stage, common cold in early stage, wind-heat common cold, encephalitis, hepatitis, tuberculosis, warm disease, heat strangury with inhibited pain, welling abscess, welling abscess and flat abscess, toxin swelling, scrofula, goiter and tuberculosis, throat impediment.
TCMBANKHE004000 Caulis Trachelospermi 络石藤 To dispel wind and remove obstruction from the channels and to remove heat from blood and cause subsidence of swelling./Wind-damp impediment pain, hypertonicity of sinews and vessels, aching in lumbus and knees, throat impediment, swollen welling abscess, knocks and falls.
TCMBANKHE004788 Saussurea involucrata; Saussurea tridactyla var. maidugonla 雪莲 To warm kidney and invigorate yang , dispel wind and overcome damp, quicken blood and free menstruation./Impotence, weakness in lumbus and knees, wind-damp impediment pain, menstrual disorder, amenorrhea, uterus cold and abdominal pain, cold rheum cough.
TCMBANKHE005213 Saussurea medusa 水母雪莲花;水木雪莲 See Saussurea laniceps./See Saussurea laniceps.
TCMBANKHE007279 Polygala chinensis [Syn. Polygala glomerata] 大金牛草 To dispel phlegm, disperse accumulation, dissipate stasis, resolve toxin./Cough and sore pharynx, child gan accumulation, knocks and falls, scrofula, swollen welling abscess, poisonous snake bite.
TCMBANKHE009004 Saussurea involucrata 雪莲 To warm kidney and invigorate yang , dispel wind and overcome damp, quicken blood and free menstruation./Impotence, weakness in lumbus and knees, wind-damp impediment pain, menstrual disorder, amenorrhea, uterus cold and abdominal pain, cold rheum cough.
TCMBANKHE008703 Forsythia viridissima 金钟花 To clear heat and resolve toxin, dissipate binds./Common cold with fever, red eyes with gall, welling abscess and sores, erysipelas, scrofula.
TCMBANKHE009135/YNS-181/XU-60/XU-236 Arctium lappa|Arctium lappa L. 牛蒡根|牛蒡 牛蒡根 云南药材标准:第二册|西藏昌都市洛隆县 祛风清热,解毒消肿,力气通便。用于咽喉肿痛,牙龈肿痛,咳嗽痰稠,腹胀便秘,消渴;黄白带下,干血痨,产后少乳,风毒面肿,大头风,疮疡肿痛|To dispel wind-heat, disperse swelling toxin./Wind-heat common cold, headache, cough, wind toxin swollen face, swelling pain in th roat, gingiva painful swelling, wind-damp impediment pain, concretion and conglomeration, welling abscess and boil, hemorrhoids, prolapse of rectum.
TCMBANKHE006664/YNS-181/XU-60/XU-236 Fructus Arctii lappae|Arctium lappa L.|Arctium lappa 牛蒡子;大力子|牛蒡 牛蒡根 云南药材标准:第二册|西藏昌都市洛隆县 祛风清热,解毒消肿,力气通便。用于咽喉肿痛,牙龈肿痛,咳嗽痰稠,腹胀便秘,消渴;黄白带下,干血痨,产后少乳,风毒面肿,大头风,疮疡肿痛|To dispel wind-heat and relieve cough, to promote eruption, to counteract toxicity, and to soothe sore throat;Treament of cough and expectroation in influenza or upper respiratory infection, measles, rubella, sore throat, mumps, erysipelas, carbuncles and sores./Wind-heat common cold, cough with profuse phlegm, measles papules, wind papules, swelling pain in throat, epidemic parotitis;1. Its extract exerts a significant and prolonged effect of lowering blood sugar in rats.2. Mildly diuretic and laxative.3. An active component, arctiin, can induce tonic convulsion, feeble respiration and eventually paralysis in frogs, mice and rabbits. erysipelas, swollen welling abscess and sore toxin.
TCMBANKHE005495/XU-730 Radix Euphorbiae Pekinensis|Euphorbia pekinensis 京大戟|大戟 陕西省安康市旬阳县 To cause drastic purgation./Treatment of anasarca, hydrothorax and ascites with dyspnea, constipation and oliguria.

   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
TCMBANKGE000121 KCNH2 ERG-1; ERG1; H-ERG; HERG; HERG1; Kv11.1; LQT2; SQT1 potassium voltage-gated channel subfamily H member 2
TCMBANKGE000201 ESR1 ER; ESR; ESRA; ESTRR; Era; NR3A1 estrogen receptor 1
TCMBANKGE000205 NOS2 HEP-NOS; INOS; NOS; NOS2A nitric oxide synthase 2
TCMBANKGE000286 GSK3B - glycogen synthase kinase 3 beta
TCMBANKGE000309 SCN5A CDCD2; CMD1E; CMPD2; HB1; HB2; HBBD; HH1; ICCD; IVF; LQT3; Nav1.5; PFHB1; SSS1; VF1 sodium voltage-gated channel alpha subunit 5
TCMBANKGE000360 CCNA2 CCN1; CCNA cyclin A2
TCMBANKGE000474 NCOA1 F-SRC-1; KAT13A; RIP160; SRC1; bHLHe42; bHLHe74 nuclear receptor coactivator 1
TCMBANKGE000478 CHEK1 CHK1 checkpoint kinase 1
TCMBANKGE000633 ADRB2 ADRB2R; ADRBR; B2AR; BAR; BETA2AR adrenoceptor beta 2
TCMBANKGE000701 ESR2 ER-BETA; ESR-BETA; ESRB; ESTRB; Erb; NR3A2; ODG8 estrogen receptor 2
TCMBANKGE000813 DPP4 ADABP; ADCP2; CD26; DPPIV; TP103 dipeptidyl peptidase 4
TCMBANKGE000938 CDK2 CDKN2; p33(CDK2) cyclin dependent kinase 2
TCMBANKGE000979 KDR CD309; FLK1; VEGFR; VEGFR2 kinase insert domain receptor
TCMBANKGE001021 MUC1 ADMCKD; ADMCKD1; CA 15-3; CD227; EMA; H23AG; KL-6; MAM6; MCD; MCKD; MCKD1; MUC-1; MUC-1/SEC; MUC-1/X; MUC1/ZD; PEM; PEMT; PUM mucin 1, cell surface associated
TCMBANKGE001073 PTGS2 COX-2; COX2; GRIPGHS; PGG/HS; PGHS-2; PHS-2; hCox-2 prostaglandin-endoperoxide synthase 2
TCMBANKGE001185 PPARG CIMT1; GLM1; NR1C3; PPARG1; PPARG2; PPARG5; PPARgamma peroxisome proliferator activated receptor gamma
TCMBANKGE001202 MAPK14 CSBP; CSBP1; CSBP2; CSPB1; EXIP; Mxi2; PRKM14; PRKM15; RK; SAPK2A; p38; p38ALPHA mitogen-activated protein kinase 14
TCMBANKGE004266 AR AIS; AR8; DHTR; HUMARA; HYSP1; KD; NR3C4; SBMA; SMAX1; TFM androgen receptor
TCMBANKGE006339 CA2 CA-II; CAC; CAII; Car2; HEL-76; HEL-S-282 carbonic anhydrase 2
TCMBANKGE011079 PRSS1 TRP1; TRY1; TRY4; TRYP1 serine protease 1