Compound Summary


  Compound Information

药名:

kansuiphorin A

别名:

CHEMBL450760; 135883-24-8; Kansuiphorin A; kansuiphorin a; Hexadecanoic acid,(6-(2,3-dimethyl-1-oxobutoxy)- 1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-1,1,7,9- tetramethyl-11-oxo-10a-((1-oxododecyl)oxy)-1H-2,8a- methanocyclopenta(a)cyclopropa(e)cyclodecen-4-yl)methyl ester; 13-Hydroxyingenol-3-(2,3-dimethylbutanoate)-13-dodecanoate-20-hexadecanoate; CHEBI:66138; [(1aR,2S,5R,5aS,6S,8aS,9R,10aS)-6-[(2,3-dimethylbutanoyl)oxy]-10a-(dodecanoyloxy)-5,5a-dihydroxy-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-4-yl]methyl hexadecanoate

分子式:

C54H90O9

Smiles:

[C@]12(O[H])[C@]([C@]([H])(C([H])([H])[H])C([H])([H])[C@]3(OC(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O)[C@@]4([H] )C3(C([H])([H])[H])C([H])([H])[H])(C([H])=C(C([H])([H])[H])[C@]1([H])OC([H])(C([H])([H])[H])C([H])([H])[H])C(=O)[C@]4([H])C([H])=C(C([H])([H])OC(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H]) C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O)[C@@]2([H])O[H].C(=C([H])C([H])([H])[H])=O

成分:

HBIN032054

OB_score:

21.674546

CAS_id:

135883-24-8

SymMap_id:

SMIT04807;SMIT16173

TCMID_id:

12141

TCMSP_id:

MOL002594

PubChem_id:

44576011


   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
TCMBANKHE003234 Fructus Malvae 冬葵果 To remove heat and induce diuresis, to relieve edema./Treatment of urinary infection with oliguria, edema and thirst.
TCMBANKHE004697 Radix Kansui 甘遂 To cause drastic purgation and expel the retained water./Edema, ascites, flowing rheum in chest, concretion conglomeration accumulation and gathering, epilepsy, cough and asthma, urinar y and fecal stoppage.

   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