Compound Summary

  Compound Information

TCMBANKIN005852

药名:	[(3S,3aR,6S,7aR)-6-hydroxy-6-methyl-2,5-dioxo-3a,4,7,7a-tetrahydro-3H-benzofuran-3-yl]methyl benzoate
别名:	benzoic acid [(3S,3aR,6S,7aR)-6-hydroxy-6-methyl-2,5-dioxo-3a,4,7,7a-tetrahydro-3H-benzofuran-3-yl]methyl ester; [(3S,3aR,6S,7aR)-6-hydroxy-6-methyl-2,5-dioxo-3a,4,7,7a-tetrahydro-3H-1-benzofuran-3-yl]methyl benzoate; benzoic acid [(3S,3aR,6S,7aR)-6-hydroxy-2,5-diketo-6-methyl-3a,4,7,7a-tetrahydro-3H-benzofuran-3-yl]methyl ester
分子式:	C17H18O6
Smiles:	CC1(CC2C(CC1=O)C(C(=O)O2)COC(=O)C3=CC=CC=C3)O
成分:	HBIN009603
OB_score:	17.843087
CAS_id:	98751-77-0
SymMap_id:	SMIT04266
TCMSP_id:	MOL001923
PubChem_id:	14734232

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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

TCMBANKHE004244	Radix Paeoniae Alba	白芍			1. To nourish blood and consolidate the yin; 2. To pacify the liver and stop pain; 3. To soothe liver yang/Headache and dizziness, pain in rib-side, abdominal pain, spasm in limbs, anemia with yellow complexion, menstrual disorder, profuse menstruation, spontaneous sweating, night sweating.
TCMBANKHE008662	Radix Paeoniae Alba	白芍			1. To nourish blood and consolidate the yin; 2. To pacify the liver and stop pain; 3. To soothe liver yang/Headache and dizziness, pain in rib-side, abdominal pain, spasm in limbs, anemia with yellow complexion, menstrual disorder, profuse menstruation, spontaneous sweating, night sweating.

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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

TCMBANKGE000201	ESR1	ER; ESR; ESRA; ESTRR; Era; NR3A1	estrogen receptor 1
TCMBANKGE000360	CCNA2	CCN1; CCNA	cyclin A2
TCMBANKGE000813	DPP4	ADABP; ADCP2; CD26; DPPIV; TP103	dipeptidyl peptidase 4
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
TCMBANKGE001185	PPARG	CIMT1; GLM1; NR1C3; PPARG1; PPARG2; PPARG5; PPARgamma	peroxisome proliferator activated receptor gamma
TCMBANKGE004266	AR	AIS; AR8; DHTR; HUMARA; HYSP1; KD; NR3C4; SBMA; SMAX1; TFM	androgen receptor
TCMBANKGE006339	CA2	CA-II; CAC; CAII; Car2; HEL-76; HEL-S-282	carbonic anhydrase 2
TCMBANKGE014941	DPEP1	MBD1; MDP; RDP	dipeptidase 1