Compound Summary


  Compound Information

药名:

Secologanate

别名:

(4S,5R,6S)-4-(2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-vinyl-5,6-dihydro-4H-pyran-3-carboxylic acid; C01957; (4S,5R,6S)-4-(2-oxoethyl)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-5-vinyl-5,6-dihydro-4H-pyran-3-carboxylic acid; (4S,5R,6S)-5-ethenyl-4-(2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-4H-pyran-3-carboxylic acid; (4S,5R,6S)-4-(2-ketoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-vinyl-5,6-dihydro-4H-pyran-3-carboxylic acid

分子式:

C16H22O10

Smiles:

C=CC1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)CC=O

成分:

HBIN043570

OB_score:

17.563457

SymMap_id:

SMIT05155

TCMSP_id:

MOL003011

PubChem_id:

439612


   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
TCMBANKHE003723 Flos Lonicerae 金银花 To remove toxic heat and dispel wind-heat./Infection of upper respiratory tract, tonsillitis, acute laryngitis, skin suppurations, welling abscess, viral conjunctivitis, influenza, pneumonia, mastitis, acute appendicitis, warm disease fever, heat toxin blood dysentery, swollen welling abscess and clove sores, throat impediment.

   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
TCMBANKGE000813 DPP4 ADABP; ADCP2; CD26; DPPIV; TP103 dipeptidyl peptidase 4
TCMBANKGE001073 PTGS2 COX-2; COX2; GRIPGHS; PGG/HS; PGHS-2; PHS-2; hCox-2 prostaglandin-endoperoxide synthase 2
TCMBANKGE006339 CA2 CA-II; CAC; CAII; Car2; HEL-76; HEL-S-282 carbonic anhydrase 2