Compound Summary


  Compound Information

药名:

obacunoic acid

别名:

751-29-1; obacunoic acid; obacunonic acid; DTXSID70715316; (2E)-3-[(3aS,5aR,6R,7R,9aR,9bR,10aS)-3-(Furan-3-yl)-7-(2-hydroxypropan-2-yl)-3a,6,9a-trimethyl-1,9-dioxododecahydronaphtho[2,1-c]oxireno[d]pyran-6-yl]prop-2-enoic acid; obacunoicacid; OBACUNOIC ACID; NSC314320; NSC-314320

分子式:

C33H44O11

Smiles:

[C@]12([C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=O)O[H])[C@@]([H])(C(C([H])([H])[H])(C([H])([H])[H])OC1([H])[H])C([H])([H])C(=O)[C@]3(C([H])( [H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@@]4(C([H])([H])[H])[C@@]35[C@@]([H])(O5)C(=O)O[C@@]4([H])c6c([H])c([H])oc6[H]

成分:

HBIN037640

OB_score:

20.693788

CAS_id:

751-29-1

SymMap_id:

SMIT04846;SMIT19398

TCMID_id:

31731;15874

TCMSP_id:

MOL002637

PubChem_id:

54611038


   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
TCMBANKHE000538 Citrus sudachii 苏打其柑橘
TCMBANKHE001333 Semen Cucumis 甜瓜子
TCMBANKHE003021 关黄柏
TCMBANKHE003038 Citrus yuko
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.
TCMBANKHE004222 Hypericum curvisepalum 贯叶金丝桃
TCMBANKHE004419 Citrus junos 橙子;蛏子 To loosen chest and disinhibit qi, harmonize center and promote digestion, resolve liquor, resolve toxin of fish and crab./Nausea and vomiting, oppression in chest and abdomen distention, goiter and tuberculosis, drunkenness.
TCMBANKHE004911 Dictamnus albus 白色白鲜
TCMBANKHE007110 Semen Citri Reticulatae 橘核 To regulate the flow of qi, cause subsidence of modulation, and relieve pain./Mounting qi, painful swollen testes, mammary welling abscess, lumbago, bladder qi pain.
TCMBANKHE005239 Fructus Aurantii 枳壳 To regulate the flow of qi, remove its stagnation, and alleviate distension;Treatment of distension and pain in the chest and hypochondriac regions due to stagnation of qi, indigestion with retention of phlegm and fluid, gastroptosis, prolapse of the rectum, prolapse of the uterus./Phlegm stagnation in chest and diaphragm, glomus in chest, distention in rib-side, food accumulation, retching counterflow.
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.
TCMBANKHE005481 Citrus tangemna 福橘 To moisten lung and engender liquid, rectify qi and harmonize stomach./Diabetes mellitus, retching counterflow, qi bind in chest and diaphragm.
TCMBANKHE007669 香橼 See Citrus medica .
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.
TCMBANKHE007504 Evodia meliifolia 楝叶吴茱萸 To warm center and dissipate cold, move qi and relieve pain./Pain in stomach duct and abdomen, vomiting, headache.
TCMBANKHE006909 Citrus grandis 柚核 To course liver and rectify qi, diffuse lung and suppress cough./Mounting qi, lung cold cough.
TCMBANKHE006967 Citrus junos 橙子核 To rectify qi and relieve pain./Mounting qi, strangury, lumbago.
TCMBANKHE007303 广藿香 Summerheat-damp lassitude, oppression in chest, vomiting diarrhea with abdominal pain, deep-source nasal congestion and headache.
TCMBANKHE008017
TCMBANKHE005418/YNS-102 Rhizoma Polygoni cuspidati|Polygonum cuspidatum Sieb.et Zucc. 虎杖 虎杖叶 云南药材标准:第一册 平肝潜阳,祛痰息风。用于肝阳上亢,血压偏高,头晕头昏|To dispel wind and damp, to eliminate blood stasis and alleviate pain, to relieve cough, and to resolve phlegm./Hyperlipemia, impediment pain in joints, damp-heat jaundice, toxic jaundice, child jaundice, amenorrhea, hepatitis, appendicitis, candida vaginitis, concretion and conglomeration, cough with profuse phlegm, burns and scalds, knocks and falls, swelling toxin of welling abscess and sore.
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
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
TCMBANKHE001642/YEM-50/YEM-338 Citrus medica|Citrus medica L. 香橼 香橼 云南民族药物志:第二卷 To rectify qi and downbear counterflow, strengthen spleen, transform phlegm./Oppression in chest, pain in rib-side, distending pain in stomach duct, belching and low food intake, vomiting due to liver stomach qi stagnation, phlegm-damp congestion, cough with profuse phlegm. 阿昌族/傣族/德昂族/哈尼族/景颇族/傈僳族/佤族
TCMBANKHE004109/YEM-602 Poncirus trifoliata|Poncirus trifoliata(L.)Raf. 枸橘|枳 枳壳 云南民族药物志:第三卷 To break qi and dissipate binds, course liver and resolve depression./Binding depression of liver qi , mammary consumption, mounting qi, qi stagnation, distention fullness in stomach duct and abdomen, pain in stomach duct, constipation, prolapse of uterus, prolapse of rectum. 彝族
TCMBANKHE004276/YEM-974 Citrus sinensis|Citrus sinensis(L.)Osbeck 甜橙 黄果树 云南民族药物志:第五卷 To move qi, precipitate qi, relieve pain, disperse distention, free milk./Galactostasis. 布依族/水族/佤族/彝族/壮族

   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
TCMBANKGE004266 AR AIS; AR8; DHTR; HUMARA; HYSP1; KD; NR3C4; SBMA; SMAX1; TFM androgen receptor