Compound Summary

  Compound Information

TCMBANKIN004890

药名:	Isobutyryl shikonin
别名:	52438-12-7; [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate; ZINC1702730; (1R)-1-(5,8-DIHYDROXY-1,4-DIOXONAPHTHALEN-2-YL)-4-METHYLPENT-3-EN-1-YL 2-METHYLPROPANOATE; CTK5J8655; MFCD00144512; (1r)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 2-methylpropanoate; SCHEMBL3298557; C17414; C-56533; 2-methylpropionic acid [(1S)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester; Isobutylshikonin; CHEBI:81070; AC1LA0S8; Isobutyrylshikonin; FT-0770577; [(1S)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 2-methylpropanoate; isobutyryl shikonin; [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate; [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 2-methylpropanoate; 2-methylpropanoic acid [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester; isobutyrylshikonin
分子式:	C20H22O6
Smiles:	CC(C)C(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O
成分:	HBIN030539
OB_score:	6.481
SymMap_id:	SMIT05661;SMIT16005;SMIT18306
TCMID_id:	11297;23106
TCMSP_id:	MOL003616
PubChem_id:	479500

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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

TCMBANKHE002815		牛大力
TCMBANKHE003750	Radix Arnebiae seu Lithospermi	紫草			1. To cool blood and invigorate blood; 2. To release toxins and bring the rash to the surface; 3. To promote bowel movement and moisten the intestines/Macula, measles papules, blood ejection, spontaneous external bleeding, hematuria, purpura, jaundice, welling abscess and flat abscess, scalds.
TCMBANKHE006440	Arnebia euchroma	新藏假紫草			See Lithospermum erythrorhizon ./See Lithospermum erythrorhizon .
TCMBANKHE008538		土荆皮			Scab and lichen, eczema, neurodermatitis .
TCMBANKHE004757/XU-374	Fructus Cnidii|Cnidium monnieri	蛇床子|蛇床		贵州省黔南州望谟县	To warm the kidney and promote virility, to remove damp, to dispel zvind, and to kill parasites./Impotence, scrotal damp itch, vaginal discharge, pudendal itch, trichomoniasis, eczema, infertility due to uterus cold, wind-damp impediment pain, scab and lichen, damp sore.

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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

TCMBANKGE000047	AKT1	AKT; CWS6; PKB; PKB-ALPHA; PRKBA; RAC; RAC-ALPHA	AKT serine/threonine kinase 1
TCMBANKGE000051	IL1B	IL-1; IL1-BETA; IL1F2; IL1beta	interleukin 1 beta
TCMBANKGE000052	TNF	DIF; TNF-alpha; TNFA; TNFSF2; TNLG1F	tumor necrosis factor
TCMBANKGE000121	KCNH2	ERG-1; ERG1; H-ERG; HERG; HERG1; Kv11.1; LQT2; SQT1	potassium voltage-gated channel subfamily H member 2
TCMBANKGE000181	PIM1	PIM	Pim-1 proto-oncogene, serine/threonine kinase
TCMBANKGE000201	ESR1	ER; ESR; ESRA; ESTRR; Era; NR3A1	estrogen receptor 1
TCMBANKGE000205	NOS2	HEP-NOS; INOS; NOS; NOS2A	nitric oxide synthase 2
TCMBANKGE000286	GSK3B	-	glycogen synthase kinase 3 beta
TCMBANKGE000360	CCNA2	CCN1; CCNA	cyclin A2
TCMBANKGE000474	NCOA1	F-SRC-1; KAT13A; RIP160; SRC1; bHLHe42; bHLHe74	nuclear receptor coactivator 1
TCMBANKGE000478	CHEK1	CHK1	checkpoint kinase 1
TCMBANKGE000701	ESR2	ER-BETA; ESR-BETA; ESRB; ESTRB; Erb; NR3A2; ODG8	estrogen receptor 2
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
TCMBANKGE001098	NFKBIA	EDAID2; IKBA; MAD-3; NFKBI	NFKB inhibitor alpha
TCMBANKGE001184	RELA	CMCU; NFKB3; p65	RELA proto-oncogene, NF-kB subunit
TCMBANKGE001185	PPARG	CIMT1; GLM1; NR1C3; PPARG1; PPARG2; PPARG5; PPARgamma	peroxisome proliferator activated receptor gamma
TCMBANKGE001202	MAPK14	CSBP; CSBP1; CSBP2; CSPB1; EXIP; Mxi2; PRKM14; PRKM15; RK; SAPK2A; p38; p38ALPHA	mitogen-activated protein kinase 14
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
TCMBANKGE009216	CACNA2D1	CACNA2; CACNL2A; CCHL2A; LINC01112; lncRNA-N3	calcium voltage-gated channel auxiliary subunit alpha2delta 1
TCMBANKGE011079	PRSS1	TRP1; TRY1; TRY4; TRYP1	serine protease 1