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Compound Summary

Compound Information

TCMBANKIN036909

药名:	Notoginsenoside R1
别名:	A839906; notoginsenosider1; notoginsenoside r1 ; 2-(hydroxymethyl)-6-[2-[6-[6-(hydroxymethyl)-3-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,4,8,10,14-pentamethyl-3,12-bis(oxidanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-hept-5-en-2-yl]oxy-oxane-3,4,5-triol; oxa; (2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahyd; 80418-24-2; (2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15; (2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-oxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahy; C08961; 2-[2-[6-[[4,5-dihydroxy-6-(hydroxymethyl)-3-methyl-2-oxanyl]oxy]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; oxane-2,3,4; (2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,1; (2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,1; Notoginsenoside R1
分子式:	C47H80O18
Smiles:	C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](C([H])([H])[H])(C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])O[C@@]2([H]) O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C([H])([H])C3([H])[H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])[C@@]5([H])O[C@@]6([H])O[C@]([H])(C([H])([H])O[H] )[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])O[C@@]7([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])O[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])O[H]
成分:	HBIN037441
OB_score:	4.270562
CAS_id:	80418-24-2
SymMap_id:	SMIT00849;SMIT00975
TCMID_id:	15827
TCMSP_id:	MOL007487;MOL012851
PubChem_id:	53399243

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

TCMBANKHE000796		狭叶假人参
TCMBANKHE001010		竹节参
TCMBANKHE003888	Panax pseudo - ginseng var. japonicus	竹节三七			To supplement vacuity, relieve cough and dispel phlegm, stanch bleeding and dissipate stasis, disperse swelling and relieve pain./Weakness during convalescence, inappetence, vacuity taxation cough, hemoptysis, blood ejection, spontaneous external bleeding, hematochezia, hematuria, aberratio mensium, flooding and spotting, bleeding due to external injury, concretion and conglomeration, amenorrhea due to blood stasis, postpartum stasis stagnation abdominal pain, knocks and falls, pain in joints due to rheumatalgia, swollen welling abscess, hemorrhoids, poisonous snake bite.
TCMBANKHE004260	Radix Ginseng	人参			To reinforce the vital energy, to remedy collapse and restore the normal pulse, to benefit the spleen and lung, to promote the production of body fluid, and to calm the nerves./Qi vacuity and verging on desertion, cold limbs and faint pulse, reduced food intake due to spleen vacuity, cough and asthma due to lung vacuity, fluid damage and thirst, diabetes mellitus due to internal heat, enduring illness qi vacuity, fright palpitation and insomnia, impotence, uterus cold, cardiac failure.
TCMBANKHE005291	Osmorhiza aristata var. laxa	香根芹			To dissipate cold and effuse exterior, relieve pain, fortify stomach, brighten eyes./Wind-cold common cold, vertex headache, generalized pain.
TCMBANKHE008431		牡荆子
TCMBANKHE009030	Resi myrrhae;Myrrha	没药			1. To invigorate blood and stop pain; 2. To reduce swelling and promote healing/Stasis pain in chest and abdomen, amenorrhea, dysmenorrhea, concretion and conglomeration, knocks and falls, swollen welling abscess and sores, intestinal welling abscess, red eyes with gall.
TCMBANKHE004506/YEM-137	Radix Notoginseng\|Panax notoginseng (Burk.) F, H. Chen ex C.Chow et al.	三七	三七	云南民族药物志：第一卷	To eliminate blood stasis, arrest bleeding, cause subsidence of swelling and alleviate pain./Hemoptysis, blood ejection, spontaneous external bleeding, hematochezia, flooding and spotting, bleeding due to external injury, angina pectoris, stabbing pain in chest and abdomen, painful swelling from knocks and falls.	彝族

植物对应的疾病

疾病ID	病名	疾病类型	MeSH	参考文献

TCMBANKDI000051	Endotoxemia	phenotype	Pathological Conditions, Signs and Symptoms; Infections	23170834
TCMBANKDI000085	Inflammation	phenotype	Pathological Conditions, Signs and Symptoms	30832367
TCMBANKDI005544	Diabetic Retinopathy	disease	Eye Diseases; Endocrine System Diseases; Cardiovascular Diseases	30832367

化合物对应的靶点

靶点ID	基因名	基因别名	描述

TCMBANKGE000788	SELE	CD62E; ELAM; ELAM1; ESEL; LECAM2	selectin E