Compound Summary

  Compound Information

TCMBANKIN058752

药名:	shikonin
别名:	HMS1990P11; 517-89-5; ST2402660; SBB066976; BSPBio_001270; AJ-32590; NEZONWMXZKDMKF-SNVBAGLBSA-N; N1643; (+)-Shikonin; HY-N0822; DTXSID30199653; NCGC00163489-01; 517S895; MLS006010149; CS-5906; 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione; HMS1792P11; AB0013814; RL03907; SR-05000001466-3; (R)-(+)-Shikonin; 1,4-NAPHTHOQUINONE, 5,8-DIHYDROXY-2-(1-HYDROXY-4-METHYL-3-PENTENYL)-, (+)-; BP-30212; J-502235; NSC 252844; SR-05000001466-1; s8279; HSDB 8100; CCG-208272; C17412; SCHEMBL33969; FT-0651798; CCRIS 6492; 874325-10-7; 3IK6592UBW; AC-26871; 5,8-Dihydroxy-2-[(1R)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione; HMS3403P11; BRN 2058010; KB-210224; AK105374; CHEBI:81068; CTK4J4851; NCGC00163489-02; NCGC00163489-04; N2643; KS-00001FJP; AC1LA0SH; 1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (R)-; 5,8-dihydroxy-2-[(1r)-1-hydroxy-4-methylpent-3-en-1-yl]-1,4-naphthoquinone; TR-031448; Shikonin S; AC1Q6B9B; 1,4-Naphthalenedione, 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-3-pentenyl]-; ANW-73225; Tokyo Violet; MolPort-005-932-876; Shikonine; UNII-3IK6592UBW; W-2767; 876010-87-6; CJ-31254; (+)-5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone; 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-en-1-yl]-1,4-dihydronaphthalene-1,4-dione; SR-05000001466; 1,4-Naphthalenedione,5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-3-penten-1-yl]-; (R)-5,8-Dihydroxy-2-(1-hydroxy-4-methylpent-3-en-1-yl)naphthalene-1,4-dione; MFCD00075680; SMR002530673; AKOS015900416; AS-13554; ZINC2015152; (-)-Shikonin; BG01580835; I664; Isoarnebin 4; HMS2089L09; 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione; 5,8-Dihydroxy-2-((R)-1-hydroxy-4-methyl-pent-3-enyl)-[1,4]naphthoquinone; 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione; BSPBio_001270; AIDS094462; AIDS-094462; 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-pent-3-enyl]-1,4-naphthoquinone; 1,4-Naphthalenedione, 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-3-pentenyl]-; NCGC00163489-01; Isoarnebin 4
分子式:	C16H16O5
Smiles:	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C
成分:	HBIN043899; HBIN030442
OB_score:	64.793285
CAS_id:	517-89-5;517-88-4
SymMap_id:	SMIT01617;SMIT09101
TCMID_id:	19804
TCMSP_id:	MOL007722
PubChem_id:	479503

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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

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.
TCMBANKHE004341	Arnebia guttata	加紫草;假紫草;内蒙紫草			See Lithospermum erythrorhizon ./See Lithospermum erythrorhizon .
TCMBANKHE006440	Arnebia euchroma	新藏假紫草			See Lithospermum erythrorhizon ./See Lithospermum erythrorhizon .
TCMBANKHE005591	Lithospermum officinale	白果紫草			To resolve toxin and disperse swelling./Arthritis.
TCMBANKHE009034	Fructus Polygoni Orientalis	水红花子			To reduce masses by dissipating blood stasis, and to relieve pain by removing stagnancy of food./Treatment of mass in the abdomen, goitre with pain, epigastric pain and distension due to indigestion.
TCMBANKHE008538		土荆皮			Scab and lichen, eczema, neurodermatitis .
TCMBANKHE008458	Isodon japonica [Syn. Rabdosia japonica ]	毛叶香茶菜			To clear heat and resolve toxin, quicken blood and disperse swelling./Hepatitis, gastritis, mastitis, amenorrhea, knocks and falls, pain in joints, snake or insect bites.
TCMBANKHE005160/YNS-66/YEM-36/XU-130	Onosma paniculatum|Onosma paniculatum Bur. et Franch	滇紫草	滇紫草根|滇紫草	云南药材标准：第六册|云南民族药物志：第一卷|云南省玉溪市江川区江城镇	清热解毒，凉血透疹，通便。用于麻疹不透，黄疸，便秘，斑疹，丹毒，热疹出血，疮疡，湿疹，水火烫伤。|To clear heat, resolve toxin, cool blood, quicken blood./Measles papules, pneumonia, febrile diseases macular eruption, ulcerating sores, eczema, scalds.	白族/傈僳族/彝族/藏族

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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

TCMBANKDI000009	Glioma	disease	Neoplasms	31560934
TCMBANKDI000022	Prostatic Neoplasms	group	Neoplasms; Male Urogenital Diseases	25879420
TCMBANKDI000048	Neoplasms	group	Neoplasms	21516121
TCMBANKDI000051	Endotoxemia	phenotype	Pathological Conditions, Signs and Symptoms; Infections	25019241
TCMBANKDI000053	leukemia	disease	Neoplasms	24583460
TCMBANKDI000078	Skin Neoplasms	group	Neoplasms; Skin and Connective Tissue Diseases	22494696
TCMBANKDI000085	Inflammation	phenotype	Pathological Conditions, Signs and Symptoms	29243243
TCMBANKDI000086	Colonic Neoplasms	group	Digestive System Diseases; Neoplasms	27556106
TCMBANKDI000087	Neoplasm Recurrence, Local	phenotype	Pathological Conditions, Signs and Symptoms; Neoplasms	27864022
TCMBANKDI000088	Lung Neoplasms	group	Neoplasms; Respiratory Tract Diseases	27864022
TCMBANKDI000093	Sepsis	disease	Pathological Conditions, Signs and Symptoms; Infections	25019241
TCMBANKDI012424	Neoplasm Invasiveness	phenotype	Pathological Conditions, Signs and Symptoms; Neoplasms	24106286
TCMBANKDI015452	Thyroid Neoplasm	disease	Neoplasms; Endocrine System Diseases	24106286
TCMBANKDI015496	Liver neoplasms	group	Digestive System Diseases; Neoplasms	22011623
TCMBANKDI018497	Cicatrix, Hypertrophic	disease	Pathological Conditions, Signs and Symptoms	26275605
TCMBANKDI029884	Acute Lung Injury	disease	Respiratory Tract Diseases	29243243

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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
TCMBANKGE000053	NFKB1	CVID12; EBP-1; KBF1; NF-kB; NF-kB1; NF-kappa-B1; NF-kappaB; NF-kappabeta; NFKB-p105; NFKB-p50; NFkappaB	nuclear factor kappa B subunit 1
TCMBANKGE000201	ESR1	ER; ESR; ESRA; ESTRR; Era; NR3A1	estrogen receptor 1
TCMBANKGE000205	NOS2	HEP-NOS; INOS; NOS; NOS2A	nitric oxide synthase 2
TCMBANKGE000250	CCL5	D17S136E; RANTES; SCYA5; SIS-delta; SISd; TCP228; eoCP	C-C motif chemokine ligand 5
TCMBANKGE000281	SNAI2	SLUG; SLUGH; SLUGH1; SNAIL2; WS2D	snail family transcriptional repressor 2
TCMBANKGE000286	GSK3B	-	glycogen synthase kinase 3 beta
TCMBANKGE000318	HMGB1	HMG-1; HMG1; HMG3; SBP-1	high mobility group box 1
TCMBANKGE000360	CCNA2	CCN1; CCNA	cyclin A2
TCMBANKGE000813	DPP4	ADABP; ADCP2; CD26; DPPIV; TP103	dipeptidyl peptidase 4
TCMBANKGE000845	CCL4	ACT2; AT744.1; G-26; HC21; LAG-1; LAG1; MIP-1-beta; MIP1B; MIP1B1; SCYA2; SCYA4	C-C motif chemokine ligand 4
TCMBANKGE000846	MMP14	MMP-14; MMP-X1; MT-MMP; MT-MMP 1; MT1-MMP; MT1MMP; MTMMP1; WNCHRS	matrix metallopeptidase 14
TCMBANKGE000847	Cyp2b10	Cyp2b; Cyp2b20; p16	cytochrome P450, family 2, subfamily b, polypeptide 10
TCMBANKGE000848	LY96	ESOP-1; MD-2; MD2; ly-96	lymphocyte antigen 96
TCMBANKGE000849	HK2	HKII; HXK2	hexokinase 2
TCMBANKGE000850	CYLD	BRSS; CDMT; CYLD1; CYLDI; EAC; MFT; MFT1; SBS; TEM; USPL2	CYLD lysine 63 deubiquitinase
TCMBANKGE000851	PKM	CTHBP; HEL-S-30; OIP3; PK3; PKM2; TCB; THBP1; p58	pyruvate kinase M1/2
TCMBANKGE000855	NKX3-1	BAPX2; NKX3; NKX3.1; NKX3A	NK3 homeobox 1
TCMBANKGE000878	MIR7-3HG	C19orf30; Huh7; LINC00306; NCRNA00306; PGSF1; uc002mbe.2	MIR7-3 host gene
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
TCMBANKGE000941	TXNRD1	GRIM-12; TR; TR1; TRXR1; TXNR	thioredoxin reductase 1
TCMBANKGE000990	EGFR	ERBB; ERBB1; HER1; NISBD2; PIG61; mENA	epidermal growth factor receptor
TCMBANKGE001025	MLKL	hMLKL	mixed lineage kinase domain like pseudokinase
TCMBANKGE001026	RIPK3	RIP3	receptor interacting serine/threonine kinase 3
TCMBANKGE001037	MMP2	CLG4; CLG4A; MMP-2; MMP-II; MONA; TBE-1	matrix metallopeptidase 2
TCMBANKGE001073	PTGS2	COX-2; COX2; GRIPGHS; PGG/HS; PGHS-2; PHS-2; hCox-2	prostaglandin-endoperoxide synthase 2
TCMBANKGE001085	MAPK8	JNK; JNK-46; JNK1; JNK1A2; JNK21B1/2; PRKM8; SAPK1; SAPK1c	mitogen-activated protein kinase 8
TCMBANKGE001089	PARP1	ADPRT; ADPRT 1; ADPRT1; ARTD1; PARP; PARP-1; PPOL; pADPRT-1	poly(ADP-ribose) polymerase 1
TCMBANKGE001096	TLR4	ARMD10; CD284; TLR-4; TOLL	toll like receptor 4
TCMBANKGE001097	HIF1A	HIF-1-alpha; HIF-1A; HIF-1alpha; HIF1; HIF1-ALPHA; MOP1; PASD8; bHLHe78	hypoxia inducible factor 1 subunit alpha
TCMBANKGE001118	MMP9	CLG4B; GELB; MANDP2; MMP-9	matrix metallopeptidase 9
TCMBANKGE001131	CASP9	APAF-3; APAF3; ICE-LAP6; MCH6; PPP1R56	caspase 9
TCMBANKGE001132	BAX	BCL2L4	BCL2 associated X, apoptosis regulator
TCMBANKGE001156	CASP3	CPP32; CPP32B; SCA-1	caspase 3
TCMBANKGE001166	BCL2	Bcl-2; PPP1R50	BCL2 apoptosis regulator
TCMBANKGE001168	RIPK1	AIEFL; IMD57; RIP; RIP-1; RIP1	receptor interacting serine/threonine kinase 1
TCMBANKGE001177	TP53	BCC7; BMFS5; LFS1; P53; TRP53	tumor protein p53
TCMBANKGE001181	TGFB1	CED; DPD1; IBDIMDE; LAP; TGF-beta1; TGFB; TGFbeta	transforming growth factor beta 1
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
TCMBANKGE001203	MAPK1	ERK; ERK-2; ERK2; ERT1; MAPK2; P42MAPK; PRKM1; PRKM2; p38; p40; p41; p41mapk; p42-MAPK	mitogen-activated protein kinase 1
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