Compound Summary

  Compound Information

TCMBANKIN038735

药名:	nardostachin
别名:	3-methylbutanoic acid [(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-4-[(3-methyl-1-oxobutoxy)methyl]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] ester; AC1L5267; 114687-82-0; DTXSID80150830; 3-methylbutyric acid [(1S,4aS,6S,7R,7aS)-6-hydroxy-4-(isovaleryloxymethyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] ester; [(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-(3-methylbutanoyloxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate; Butanoic acid, 3-methyl-, (1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-1-(3-methyl-1-oxobutoxy)cyclopenta(c)pyran-4-yl)methyl ester, (1S-(1alpha,4aalpha,6alpha,7alpha,7aalpha))-; [(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-4-(3-methylbutanoyloxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate; nardostachin
分子式:	C20H32O6
Smiles:	[C@@]12([H])[C@@]([H])([C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H])[C@]([H])(OC(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])OC([H])=C2C([H])([H])OC(C([H])([H])C([H])(C([H])([H])[H])C([ H])([H])[H])=O
成分:	HBIN036359
OB_score:	15.264058
CAS_id:	114687-82-0
SymMap_id:	SMIT11572;SMIT16814
TCMID_id:	15268
TCMSP_id:	MOL010541
PubChem_id:	196699

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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

TCMBANKHE001234	Patrinia saniculaefolia	变豆菜叶
TCMBANKHE002642		冬瓜子			Phlegm-heat cough, pulmonary welling abscess, intestinal welling abscess, white turbidity, vaginal discharge, beriberi, edema, strangury syndrome.
TCMBANKHE008834	Radix seu Rhizoma rdostachyos	甘松			To regulate the flow of qi and relieve pain, and to invigorate the spleen function./Stomachache, distention fullness in chest and abdomen, headache, hysteria, beriberi.

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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
TCMBANKGE000205	NOS2	HEP-NOS; INOS; NOS; NOS2A	nitric oxide synthase 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