Compound Summary

  Compound Information

TCMBANKIN036898

药名:	cucurbitacin B
别名:	Cucurbitacine (B); acetic acid [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester; LMST01010104; NSC144154; 19-nor-9.beta.,10.alpha.-Lanosta-5,23-diene-3,11,22-trione, 9-methyl-2.beta.,16.alpha.,20,25-tetrahydroxy-, 25-acetate; C08794; NSC49451; [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; acetic acid [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester; Datisca principle B; [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate; acetic acid [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester; acetic acid [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester; [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate; 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-; [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate; [(6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; Cucurbitacin B; Datiscn Principle B; [(6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate; 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, [2.beta.,.gamma.,.beta.,10.alpha.,16.alpha.]-; NCI60_004184; 6199-67-3
分子式:	C38H50O8
Smiles:	[C@@]1([H])(O[H])C([H])([H])[C@]2([H])C(=C([H])C([H])([H])[C@@]3([H])[C@@]2(C([H])([H])[H])C(=O)C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@@](O[H])(C(=O)\C([H])=C([H])\C(Oc4c([H])c([H])c([H])c([H]) c4C(C([H])([H])[H])=O)(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])C5([H])[H])[C@]35C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C1=O
成分:	HBIN021845
OB_score:	25.900014
CAS_id:	6199-67-3
SymMap_id:	SMIT00503
TCMID_id:	4316
TCMSP_id:	MOL002440
PubChem_id:	180751

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   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

TCMBANKHE000658		黄瓜藤
TCMBANKHE000903		甜瓜皮
TCMBANKHE001333	Semen Cucumis	甜瓜子
TCMBANKHE001533		生瓜
TCMBANKHE001546		甜瓜叶
TCMBANKHE004526	Rhizoma Bolbostemmae	土贝母			To dissolve lumps, cause subsidence of swelling, and counteract toxicity./Treatment of mastitis, chronic lymphadenitis, tuberculosis of cervical lymph nodes, hypertrophic rhinitis.
TCMBANKHE001778		甜瓜花
TCMBANKHE002686		黄瓜根
TCMBANKHE002902		黄瓜叶
TCMBANKHE003062		甜瓜根
TCMBANKHE003344	Cucumis africanus
TCMBANKHE003495		甜瓜茎
TCMBANKHE004709	Begonia nantoensis	南投秋海棠
TCMBANKHE004718	Bryonia alba	白泻根
TCMBANKHE005846		青葙子			1. Hypotensive2. Celosiaol, one of its active components is a mydriatic.
TCMBANKHE006580	Calycis Melo	瓜蒂			Vomiting promotion/Wind stroke, epilepsy, throat impediment, indigestion of overnight food, distending pain in stomach duct, damp-heat jaundice, chronic hepatitis, cirrhosis.
TCMBANKHE008343	Radix Trichosanthis	天花粉			To remove heat, to promote the production of body fluid, and to facilitate the drainage of pus and the subsidence of swelling./Febrile diseases thirst, lung heat dry cough, diabetes mellitus due to internal heat, toxin swelling of sores, induce abortion.
TCMBANKHE008443	Hemsleya graciliflora [Syn. Alsomitra graciliflora]	细花雪胆
TCMBANKHE006991		胡黄连			Steaming bone tidal fever due to yin vacuity, night sweating, child gan accumulation, indigestion, abdominal distention and emaciation, dysentery, fever, gastrointestinal damp-heat diarrhea, hemorrhoids.
TCMBANKHE007029	Citrullus colocynthis	药西瓜
TCMBANKHE007086	Strophanthus divaricatus	羊角坳子			To quicken blood and disperse swelling, strengthen heart, kill worms and relieve itch./Wind-damp, scab and lichen, knocks and falls, swelling of sores, cardiac failure, rheumatic arthritis.
TCMBANKHE007551	Catechu	儿茶			To reduce toxic and to remove dampness./To arrest exudation, promote the growth of new tissue, and cure wounds.
TCMBANKHE008763	Ecballium elaterium	喷瓜
TCMBANKHE008507	Iberis umbellata	伞形屈曲花
TCMBANKHE006421/YEM-1037/XU-804	Trichosanthes kirilowii Maxim.|Trichosanthes kirilowii	瓜蒌|栝楼	天花粉	云南民族药物志：第五卷|云南省昭通市盐津县	Angina pectoris, lung heat cough, chest impediment, diabetes mellitus, acute mastitis, constipation, swelling toxin of welling abscess and sore.	苗族/彝族
TCMBANKHE003533/YEM-213	Retinervus Luffae Fructus|Luffa cylindrica(L.)Roem.	丝瓜络|丝瓜	丝瓜	云南民族药物志：第二卷	Treatment of arthralgia with muscular contracture, distension and pain in the chest and costal regions, galactostasis./Treatment of arthralgia with muscular contracture, distension and pain in the chest and costal regions, galactostasis.	阿昌族/傣族/德昂族/景颇族/傈僳族/水族/彝族/藏族
TCMBANKHE006143/YEM-213	Luffa cylindrica|Luffa cylindrica(L.)Roem.	丝瓜	丝瓜	云南民族药物志：第二卷	To clear heat and resolve phlegm, cool blood and resolve toxin./Febrile diseases with vexation and thirst, cough of phlegm asthma, intestinal wind bleeding, bleeding from hemorrhoids, blood strangury, flooding and spotting, sores with welling abscess and flat abscess, galactostasis, innominate toxin swelling, edema.	阿昌族/傣族/德昂族/景颇族/傈僳族/水族/彝族/藏族
TCMBANKHE008177/YEM-315	Lagenaria siceraria var. depressa|Lagenaria siceraria( Molina )Standl.	瓠瓜|葫芦	葫芦	云南民族药物志：第二卷	To disinhibit water, disperse swelling, free strangury, dissipate binds./Edema, ascites, jaundice, diabetes mellitus, strangury, swollen welling abscess.	阿昌族/傣族/德昂族/景颇族/傈僳族/彝族/藏族
TCMBANKHE006044/YEM-315	Pericarpium lagenariae|Lagenaria siceraria( Molina )Standl.	葫芦	葫芦	云南民族药物志：第二卷	Treatment of edema. Calabash gourd (Hulu) is used with herbs which promote water metabolism, such as Benincasa peel (Dongguapi)./Treatment of edema. Calabash gourd (Hulu) is used with herbs which promote water metabolism, such as Benincasa peel (Dongguapi).	阿昌族/傣族/德昂族/景颇族/傈僳族/彝族/藏族
TCMBANKHE008148/YEM-669	Cucumis sativus|Cucumis sativus L.	黄瓜	黄瓜	云南民族药物志：第四卷	To clear heat, disinhibit water, resolve toxin./Febrile diseases thirst, short voidings of reddish urine, burns and scalds, scant urine with edema, sweat macule, prickly heat.	傣族/哈尼族/佤族/彝族
TCMBANKHE004426/YEM-669	Cucumis sativus|Cucumis sativus L.	黄瓜	黄瓜	云南民族药物志：第四卷	To clear heat, disinhibit water, resolve toxin./Febrile diseases thirst, short voidings of reddish urine, burns and scalds, scant urine with edema, sweat macule, prickly heat.	傣族/哈尼族/佤族/彝族
TCMBANKHE004517/YEM-793	Hemsleya macrosperma|Hemsleya macrosperma C.Y.Wu ex C.Y.Wu et C.L.Chen.	大籽雪胆|罗锅底	苦金盆	云南民族药物志：第四卷	See Hemsleya amabilis./See Hemsleya amabilis.	傣族/苗族/佤族

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   植物对应的疾病

疾病ID	病名	疾病类型	MeSH	参考文献

TCMBANKDI000022	Prostatic Neoplasms	group	Neoplasms; Male Urogenital Diseases	24690568
TCMBANKDI000047	Neoplasm Metastasis	phenotype	Pathological Conditions, Signs and Symptoms; Neoplasms	24994678
TCMBANKDI000069	Bone neoplasms	group	Neoplasms; Musculoskeletal Diseases	21440986
TCMBANKDI000070	Osteosarcoma	disease	Neoplasms	21440986
TCMBANKDI000088	Lung Neoplasms	group	Neoplasms; Respiratory Tract Diseases	23340170

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   化合物对应的靶点

靶点ID	基因名	基因别名	描述

TCMBANKGE000168	NR3C1	GCCR; GCR; GCRST; GR; GRL	nuclear receptor subfamily 3 group C member 1
TCMBANKGE000921	CCNB1	CCNB	cyclin B1
TCMBANKGE001166	BCL2	Bcl-2; PPP1R50	BCL2 apoptosis regulator
TCMBANKGE001178	STAT3	ADMIO; ADMIO1; APRF; HIES	signal transducer and activator of transcription 3