Compound Summary

  Compound Information

TCMBANKIN040621

药名:	obacunone
别名:	C08775; AI3-37934; NP-002341; (1R,2R,4S,7R,8S,12R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.02,4.02,8.012,18]icos-13-ene-5,15,20-trione; MEGxp0_000818; (1R,2R,4S,7S,8S,12R)-7-(FURAN-3-YL)-1,8,12,17,17-PENTAMETHYL-3,6,16-TRIOXAPENTACYCLO[9.9.0.0(2),?.0(2),?.0(1)(2),(1)?]ICOS-13-ENE-5,15,20-TRIONE; MolPort-001-740-970; Obacunone; MCULE-5079813608; Obacunoic acid, eta-lactone; Oxireno(4,4a)-2-benzopyrano(6,5-g)(2)benzoxepin-3,5,9(3aH,4bH,6H)-trione, 1-(3-furanyl)-1,6a,7,11a,11b,12,13,13a-octahydro-4b,7,7,11a,13a-pentamethyl-, (1S,3aS,4aR,4bR,6aR,11aR,11bR,11bR,13aS)-; 751-03-1
分子式:	C26H30O7
Smiles:	C1(=O)C([H])=C([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]34[C@]([H])(O3)C(=O)O[C@@]2([H])c5c([H])c([H])oc5[H])[C@@]4(C([H])([H])[H])C(=O)C6([H])[H])[C@@]6([H] )C(C([H])([H])[H])(C([H])([H])[H])O1
成分:	HBIN037642
OB_score:	81.579305
CAS_id:	751-03-1
SymMap_id:	SMIT00638
TCMID_id:	15875
TCMSP_id:	MOL006411;MOL013352
PubChem_id:	119041

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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

TCMBANKHE000081		柚花
TCMBANKHE002292		橘红
TCMBANKHE003021		关黄柏
TCMBANKHE003748	Rhizoma Coptidis	黄连			To remove damp-heat, quench fire and counteract toxicity./Febrile infectious diseases, dysentery, blood ejection, spontaneous external bleeding, diphtheria, infection of upper respiratory tract, scarlatina, typhoid fever, acute conjunctivitis, otitis media, acute surgical infection, septicemia, hepatitis, trichomoniasis, eruptive dermatitis, hypertension, vexation and agitation, clouded spirit with delirious speech, damp-heat glomus in chest, damp-heat diarrhea dysentery, insomnia and vexation due to effulgent fire, stomach heat vomiting, swift digestion with rapid hungering, red eyes with pain due to liver fire, heat toxin sores, clove sore running yellow, gum swelling and pain, mouth sore, tongue sores, genital swelling, bleeding from hemorrhoids, eczema, scalds.
TCMBANKHE005444		白鲜皮			To clear heat and dry damp, dispel wind and relieve itch, resolve toxin./1. Inhibiting the growth of pathogenic fungi. 2. Its infusion lowers vaccine-induced fever in rabbits. 3. Dictamnine, one of its active components, increase the myocardial tone of frogs. Dermatitis, psoriasis, icterohepatitis, damp-heat sore and papules, profuse pus, yellow-water sore, damp ulceration on skin, itchy skin, damp-heat jaundice, damp-heat impediment.
TCMBANKHE004222	Hypericum curvisepalum	贯叶金丝桃
TCMBANKHE007122	Fructus Aurantii Immaturus	枳实			To eliminate stagnation of qi, resolve phlegm and relieve stuffiness sensation in the chest and abdomen./Shock, indigestion, ptosis of anus or uterus, cardiac failure, distention fullness in chest and abdomen, phlegm aggregation.
TCMBANKHE007669		香橼			See Citrus medica .
TCMBANKHE008690	Pericarpium Citri Reticulatae	陈皮			To regulate the flow of qi, to invigorate the spleen function, to eliminate damp, and to resolve phlegm./Treatment of distension and fullness sensation in the chest and epigastrium with anorexia, vomiting and diarrhea, cough with copious phlegm.
TCMBANKHE006061	Fructus Evodiae	吴茱萸			1. To dispel cold and stop pain; 2. To pacify the liver and direct rebellious qi downward; 3. To stop vomiting/Dysentery, cold pain in stomach duct and abdomen, reverting yin headache, mounting qi , dysmenorrhea, beriberi with edema, hyperchlorhydria, cold-damp diarrhea.
TCMBANKHE004238/YEM-1014	Phellodendron amurense;Cortex Phellodendri|Phellodendron chinense Schneid var.glabriusculum Schneid.	黄柏|秃叶黄蘗	广西黄柏	云南民族药物志：第五卷	1. To clear heat and dry dampness; 2. To reduce fire and release toxins/Damp-heat dysentery, tuberculosis, epidemic meningitis, acute conjunctivitis, trachoma, fever, abdominal pain, diarrhea, suppurative hematochezia, tenesmus, jaundice, yellow thick foul leukorrhagia, swelling pain in knees and feet, urinary tract infection, boil, sore, ulcer, eczema, mouth sore, hemorrhoids, burns, scalds, exuberance of fire with tidal fever, tidal fever with night sweat, emission.	瑶族/壮族

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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

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   化合物对应的靶点

靶点ID	基因名	基因别名	描述

TCMBANKGE004266

AR

AIS; AR8; DHTR; HUMARA; HYSP1; KD; NR3C4; SBMA; SMAX1; TFM

androgen receptor