Compound Summary

  Compound Information

TCMBANKIN021494

药名:	Ajugalactone
别名:	42975-12-2; ajugalactone; (2S,3R,5R,9R,10R,13R,14R,17S)-17-[1-(4-ethyl-5-methyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-2,3,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,9,11,15,16,17-decahydrocyclopenta[a]phenanthrene-6,12-dione; AC1NSUZW; (2S,3R,5R,9R,10R,13R,14R,17S)-17-[(1R)-1-[(2R)-4-ethyl-6-keto-5-methyl-2,3-dihydropyran-2-yl]-1-hydroxy-ethyl]-2,3,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,9,11,15,16,17-decahydrocyclopenta[a]phenanthrene-6,12-quinone; (2S,3R,5R,9R,10R,13R,14R,17S)-17-[(1R)-1-[(2R)-4-ethyl-5-methyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxy-ethyl]-2,3,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,9,11,15,16,17-decahydrocyclopenta[a]phenanthrene-6,12-dione; C08810; (2S,3R,5R,9R,10R,13R,14R,17S)-17-[(1R)-1-[(2R)-4-ethyl-5-methyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-2,3,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,9,11,15,16,17-decahydrocyclopenta[a]phenanthrene-6,12-dione
分子式:	C29H40O8
Smiles:	CCC1=C(C(=O)OC(C1)C(C)(C2CCC3(C2(C(=O)CC4C3=CC(=O)C5C4(CC(C(C5)O)O)C)C)O)O)C
成分:	HBIN014968
OB_score:	17.32527
CAS_id:	42975-12-2
SymMap_id:	SMIT09146;SMIT14206
TCMID_id:	794
TCMSP_id:	MOL007771
PubChem_id:	181744

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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

TCMBANKHE002776		白花菜子			Wind-cold sinew and bone numbness, aching pain in back and shoulder, lumbago, swelling pain due to external injury, bone tuberculosis, hemorrhoids and fistulas.
TCMBANKHE003768	Ajuga taiwanensis	台湾筋骨草
TCMBANKHE004094	Ajuga reptans	匍匐筋骨草
TCMBANKHE007129	Ajuga chamaepitys	黄金古草
TCMBANKHE007557	Herha Ajugae Ciliatae	白毛夏枯草			1. To clear lung-heat, eliminate phlegm and relieve cough. 2. to clear away heat and toxic material, and relieve carbuncle. 3. Clear away heat to cool the blood. 4. Lower blood pressure./Swelling pain in throat, lung heat cough, pulmonary welling abscess, red eyes with gall, dysentery, swollen welling abscess and clove sores, poisonous snake bite, knocks and falls.

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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

TCMBANKGE000168	NR3C1	GCCR; GCR; GCRST; GR; GRL	nuclear receptor subfamily 3 group C member 1
TCMBANKGE004266	AR	AIS; AR8; DHTR; HUMARA; HYSP1; KD; NR3C4; SBMA; SMAX1; TFM	androgen receptor