Compound Summary

  Compound Information

TCMBANKIN042159

药名:	pteryxin
别名:	STOCK1N-52523; C09307; AIDS006515; [(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] (Z)-2-methylbut-2-enoate; [(9R,10R)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] (Z)-2-methylbut-2-enoate; (Z)-2-methylbut-2-enoic acid [(9R,10R)-9-acetoxy-2-keto-8,8-dimethyl-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester; ZINC04081606; 13161-75-6; 17944-23-9; (Z)-2-methylbut-2-enoic acid [(9R,10R)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester; AIDS-006515; pteryxin; 2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3- ,4-b')dipyran-10-yl ester, (9R-(9alpha,10alpha(Z)))-; 2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-10-yl ester, (9R-(9alpha,10alpha(Z)))-
分子式:	C21H22O7
Smiles:	c12c(OC(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(OC(C([H])([H])[H])=O)[C@]1([H])OC(\C(=C(/C([H])([H])[H])[H])\C([H])([H])[H])=O)c([H])c([H])c3c2OC(=O)C([H])=C3[H]
成分:	HBIN041222
OB_score:	15.998159
CAS_id:	17944-23-9
SymMap_id:	SMIT13790
TCMID_id:	18151
TCMSP_id:	MOL013092
PubChem_id:	5281425

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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

TCMBANKHE001091	Seseli ericephalum
TCMBANKHE001963	Angelica ursina
TCMBANKHE004598	Zizia aptera	芨芨芹
TCMBANKHE005015	Pterocarpus santalinus	似紫檀
TCMBANKHE005292	Pterocarpus indicus	紫檀			To dispel stasis and harmonize construction, stanch bleeding and settle pain./Headache, pain in heart and abdomen, persistent flow of lochia, dribbling pain of urination, wind toxin and swollen welling abscess, incised wound and bleeding.
TCMBANKHE008512	radix Peucedani	前胡			To dispel wind and remove heat, and to relieve cough and resolve phlegm ./Cough, externally contracted wind-heat, lung heat phlegm depression, cough and asthma with abundant phlegm, sticky phlegm, retching counterflow and reduced food intake, fullness and oppression in chest and diaphragm.
TCMBANKHE007623	Libanotis condensata	密花岩风			To dispel wind and free network vessels, relieve pain./Pain in joints due to rheumatalgia, chest pain.
TCMBANKHE008462	Peucedanum govanianum var. bicolo	丽江前胡;漓江前胡
TCMBANKHE006707/YEM-80	Dracaena cochinchinensis|Dracaena cochinchinensis (Lour.)S.C.Chen.	剑叶龙血树	剑叶龙血树	云南民族药物志：第一卷	To dissipate stasis and settle pain, stanch bleeding, close sores and engender flesh./Knocks and falls, internal damage stasis pain, dysmenorrhea, postpartum blood stasis abdominal pain, incessant bleeding, scrofula, ulcer of lower limb, hemorrhoids.	傣族/拉祜族

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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

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   化合物对应的靶点

靶点ID	基因名	基因别名	描述

TCMBANKGE000121	KCNH2	ERG-1; ERG1; H-ERG; HERG; HERG1; Kv11.1; LQT2; SQT1	potassium voltage-gated channel subfamily H member 2
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
TCMBANKGE000701	ESR2	ER-BETA; ESR-BETA; ESRB; ESTRB; Erb; NR3A2; ODG8	estrogen receptor 2
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
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