Compound Summary


  Compound Information
化合物待补充

药名:

Valerianae alkaloid B

别名:

phenyl pyruvicacid;PPY;CHEBI:30851; PHENYL-PYRUVATE; phenylpyruvate; 156-06-9; keto-phenylpyruvate; alpha-oxo-benzenepropanoic acid; SBB012361; AIDS167235; 2-Oxo-3-phenylpropanic acid; Benzenepropanoic acid, .alpha.-oxo-; Benzenepropanoic acid, alpha-oxo-; beta-phenylpyruvic acid; 3-Phenylpyruvic acid; 2-keto-3-phenyl-propionic acid; 286958_ALDRICH; 1PY; Phenyl pyruvic acid; C00166; alpha-ketohydrocinnamic acid; Pyruvic acid, phenyl-; keto-phenylpyruvic acid; 3-phenyl-2-oxopropanoate; 2-oxo-3-phenylpropanoic acid; 2-oxo-3-phenyl-propanoic acid; EINECS 205-847-1; Phenylbrenztraubensaeure; AIDS-167235; phenylpyruvic acid; 2-OXO-3-PHENYLPROPIONIC ACID; 3-phenyl-2-oxopropanoic acid

分子式:

C18H23ClNO2

Smiles:

C1([H])=N(C([H])([H])C([H])([H])c2c([H])c([H])c(O[H])c([H])c2[H])C([H])=C(C([H])([H])O[H])C3=C1[C@@]([H])(C([H])([H])[H])C([H])([H])C3([H])[H].Cl

成分:

HBIN039537

OB_score:

32.723519

CAS_id:

156-06-9

SymMap_id:

SMIT19430;SMIT12986

TCMID_id:

31794;17120

TCMSP_id:

MOL012194

PubChem_id:

997


   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
TCMBANKHE006598 Benzoinum 安息香 To restore consciousness. To activate the flow of qi and blood. To relieve pain./Sudden stroke and fulminant reversal, pain in heart and abdomen, postpartum blood dizziness, child fright epilepsy, wind impediment and lumbago.
TCMBANKHE008084/YEM-516 Raphanus sativus|Raphanus sativus L. 莱菔|萝卜 萝卜 云南民族药物志:第三卷 To disperse food, precipitate qi, transform phlegm, stanch bleeding, allay thirst, disinhibit urine./Indigestion, food accumulation distention and fullness, hyperchlorhydria, vomiting, diarrhea, dysentery, constipation, phlegm-heat cough, hemoptysis, blood ejection, spontaneous external bleeding, hematochezia, diabetes mellitus, strangury-turbidity, sores, stasis swelling due to injury, scalds, frostbite. 阿昌族/傣族/德昂族/哈尼族/景颇族/傈僳族/苗族/水族/佤族/彝族/藏族

   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
TCMBANKGE000205 NOS2 HEP-NOS; INOS; NOS; NOS2A nitric oxide synthase 2
TCMBANKGE000766 ACHE ACEE; ARACHE; N-ACHE; YT acetylcholinesterase (Cartwright blood group)
TCMBANKGE000813 DPP4 ADABP; ADCP2; CD26; DPPIV; TP103 dipeptidyl peptidase 4
TCMBANKGE000903 PTGS1 COX1; COX3; PCOX1; PES-1; PGG/HS; PGHS-1; PGHS1; PHS1; PTGHS prostaglandin-endoperoxide synthase 1
TCMBANKGE000938 CDK2 CDKN2; p33(CDK2) cyclin dependent kinase 2
TCMBANKGE001073 PTGS2 COX-2; COX2; GRIPGHS; PGG/HS; PGHS-2; PHS-2; hCox-2 prostaglandin-endoperoxide synthase 2
TCMBANKGE001194 ADRA2A ADRA2; ADRA2R; ADRAR; ALPHA2AAR; ZNF32 adrenoceptor alpha 2A
TCMBANKGE001755 MAOB - monoamine oxidase B
TCMBANKGE001882 HAO1 GOX; GOX1; HAOX1 hydroxyacid oxidase 1
TCMBANKGE006339 CA2 CA-II; CAC; CAII; Car2; HEL-76; HEL-S-282 carbonic anhydrase 2
TCMBANKGE008056 ADRA2C ADRA2L2; ADRA2RL2; ADRARL2; ALPHA2CAR adrenoceptor alpha 2C
TCMBANKGE008172 MAOA BRNRS; MAO-A monoamine oxidase A
TCMBANKGE009389 LYZ LYZF1; LZM lysozyme
TCMBANKGE011079 PRSS1 TRP1; TRY1; TRY4; TRYP1 serine protease 1
TCMBANKGE014941 DPEP1 MBD1; MDP; RDP dipeptidase 1