Compound Summary

  Compound Information

TCMBANKIN015423

药名:	Allopseudococain
别名:	Allo-psi-cocaine; methyl (1R,2S,3R,5S)-8-methyl-3-phenylcarbonyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate; methyl (1R,2S,3R,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate; (1R,2S,3R,5S)-8-methyl-3-(oxo-phenylmethoxy)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester; 518-97-8; InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H; 1alphaH,5alphaH-Tropane-2alpha-carboxylic acid, 3alpha-hydroxy-, methyl ester, benzoate (ester) (8CI); Pseudoallococaine; 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2S,3R,5S)- (9CI); (R)-Allopseudococaine; methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate; 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2S,3R,5S)-; 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester; Allopseudococaine (6CI); (1R,2S,3R,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester; 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, [1R-(endo,endo)]-
分子式:	C17H21NO4
Smiles:	CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC
成分:	HBIN015237
OB_score:	34.926897
CAS_id:	518-97-8
SymMap_id:	SMIT12779
TCMSP_id:	MOL011949
PubChem_id:	638023

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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

TCMBANKHE005581	Herba Equiseti Hiemalis	木贼			To dispel wind-heat and to remove nebula./Wind-heat red eye, tearing in wind, eye screen.
TCMBANKHE006102	Equisetum hyemale	木贼			To dispel wind-heat and to remove nebula./To dispel wind-heat and to remove nebula

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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

TCMBANKGE000309	SCN5A	CDCD2; CMD1E; CMPD2; HB1; HB2; HBBD; HH1; ICCD; IVF; LQT3; Nav1.5; PFHB1; SSS1; VF1	sodium voltage-gated channel alpha subunit 5
TCMBANKGE000425	DRD1	DADR; DRD1A	dopamine receptor D1
TCMBANKGE000633	ADRB2	ADRB2R; ADRBR; B2AR; BAR; BETA2AR	adrenoceptor beta 2
TCMBANKGE000813	DPP4	ADABP; ADCP2; CD26; DPPIV; TP103	dipeptidyl peptidase 4
TCMBANKGE000869	DRD2	D2DR; D2R	dopamine receptor D2
TCMBANKGE000965	CHRNA7	CHRNA7-2; NACHRA7	cholinergic receptor nicotinic alpha 7 subunit
TCMBANKGE001194	ADRA2A	ADRA2; ADRA2R; ADRAR; ALPHA2AAR; ZNF32	adrenoceptor alpha 2A
TCMBANKGE001506	ADRA1B	ADRA1; ALPHA1BAR	adrenoceptor alpha 1B
TCMBANKGE003157	CHRM2	HM2	cholinergic receptor muscarinic 2
TCMBANKGE003625	SLC6A4	5-HTT; 5-HTTLPR; 5HTT; HTT; OCD1; SERT; SERT1; hSERT	solute carrier family 6 member 4
TCMBANKGE005535	CHRM1	HM1; M1; M1R	cholinergic receptor muscarinic 1
TCMBANKGE006943	CHRM3	EGBRS; HM3; PBS	cholinergic receptor muscarinic 3
TCMBANKGE008124	ADRA2B	ADRA2L1; ADRA2RL1; ADRARL1; ALPHA2BAR; FAME2; alpha-2BAR	adrenoceptor alpha 2B
TCMBANKGE008700	CHRNA2	-	cholinergic receptor nicotinic alpha 2 subunit
TCMBANKGE008702	OPRM1	LMOR; M-OR-1; MOP; MOR; MOR1; OPRM	opioid receptor mu 1
TCMBANKGE009256	SLC6A2	NAT1; NET; NET1; SLC6A5	solute carrier family 6 member 2
TCMBANKGE009455	CHRM5	HM5	cholinergic receptor muscarinic 5
TCMBANKGE011923	CHRM4	HM4; M4R	cholinergic receptor muscarinic 4
TCMBANKGE012155	SLC6A3	DAT; DAT1; PKDYS; PKDYS1	solute carrier family 6 member 3
TCMBANKGE014050	GABRA1	ECA4; EIEE19; EJM; EJM5	gamma-aminobutyric acid type A receptor subunit alpha1
TCMBANKGE014625	OPRD1	DOP; DOR; DOR1; OPRD	opioid receptor delta 1
TCMBANKGE014941	DPEP1	MBD1; MDP; RDP	dipeptidase 1