Compound Summary

  Compound Information

TCMBANKIN026233

药名:	isobutyl benzoate
别名:	AK487001; Benzoic acid, isobutyl ester (6CI,7CI,8CI); B0072; SCHEMBL298176; UNII-KQ6XZ9WJII; 2-Methylpropyl benzoate; M581; AKOS015889452; benzoic acid isobutyl ester; ZINC00406974; DSSTox_RID_82088; Isobutyl benzoate; ST50406096; AC1L1UFL; CTK3J3927; iso-butyl benzoate; Benzoic acid isobutyl; FEMA No. 2185; DSSTox_GSID_47074; benzoic acid, 2,2-dimethylethyl ester; NCGC00256173-01; ZB013717; ST5406096; EINECS 204-401-3; FT-0622711; J-004354; 120-50-3; AI3-01267; NSC 6580; NSC-6580; ACMC-1C82F; DB-041561; RT-001775; MFCD00048344; Benzoic acid, isobutyl ester; Isobutyl benzoate, >=98%; Benzoic acid, 2-methylpropyl ester; CHEBI:87500; Isobutyl benzoate (natural); KQ6XZ9WJII; ANW-17508; C-50487; Tox21_302327; 195715_ALDRICH; W218502_ALDRICH; ISOBUTYLBENZOATE; I01-18221; NSC6580; 2-Methylpropyl Ester Benzoic Acid; CAS-120-50-3; DSSTox_CID_27074; Isobutyl benzoate, 99%; FEMA 2185; AN-22824; BENZOIC ACID, 2-METHYLPROPYL ESTER; KYZHGEFMXZOSJN-UHFFFAOYSA-N; LS-2848; Benzoic Acid Isobutyl Ester; BENZOIC ACID 2-METHYLPROPYL ESTER; BRN 2045961; CHEMBL2260714; DTXSID6047074; ZINC406974
分子式:	C11H14O2
Smiles:	CC(C)COC(=O)C1=CC=CC=C1
成分:	HBIN030516
CAS_id:	120-50-3
SymMap_id:	SMIT02229;SMIT04749
TCMID_id:	24655
TCMSP_id:	MOL002530
PubChem_id:	61048

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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

TCMBANKHE001675		景天三七
TCMBANKHE006322	Herba Inulae	金沸草			To relieve cough and dyspnea, and eliminate retained phlegm./Wind-cold cough, phlegm congestion and qi counterflow, glomus fullness in chest and diaphragm, cough and asthma with abundant phlegm, painful swelling from clove sore.
TCMBANKHE004973	Herba Ephedrae	麻黄			To induce perspiration for dispelling cold, to relieve asthma, and to cause diuresis./Wind-cold exterior repletion syndrome, headache without sweating, headache and generalized pain, cough, fever, fever and aversion to wind, absence of sweating, congesting lung, non-diffusion of lung qi, cough and asthma, bronchial asthma, wind water edema, nasal congestion, allergic rhinitis, inhibited urination, wind-damp impediment pain, muscle numbness, wind papule itching, yin flat abscess and phlegm node.
TCMBANKHE006116	Herba Inulae	金沸草			To relieve cough and dyspnea, and eliminate retained phlegm./Wind-cold cough, phlegm congestion and qi counterflow, glomus fullness in chest and diaphragm, cough and asthma with abundant phlegm, painful swelling from clove sore.
TCMBANKHE006907		高良姜			Cold pain in stomach duct and abdomen, vomiting, diarrhea.

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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
TCMBANKGE000633	ADRB2	ADRB2R; ADRBR; B2AR; BAR; BETA2AR	adrenoceptor beta 2
TCMBANKGE000903	PTGS1	COX1; COX3; PCOX1; PES-1; PGG/HS; PGHS-1; PGHS1; PHS1; PTGHS	prostaglandin-endoperoxide synthase 1
TCMBANKGE001073	PTGS2	COX-2; COX2; GRIPGHS; PGG/HS; PGHS-2; PHS-2; hCox-2	prostaglandin-endoperoxide synthase 2
TCMBANKGE001194	ADRA2A	ADRA2; ADRA2R; ADRAR; ALPHA2AAR; ZNF32	adrenoceptor alpha 2A
TCMBANKGE001506	ADRA1B	ADRA1; ALPHA1BAR	adrenoceptor alpha 1B
TCMBANKGE001943	ADRA1D	ADRA1; ADRA1A; ADRA1R; ALPHA1; DAR; dJ779E11.2	adrenoceptor alpha 1D
TCMBANKGE005535	CHRM1	HM1; M1; M1R	cholinergic receptor muscarinic 1
TCMBANKGE006943	CHRM3	EGBRS; HM3; PBS	cholinergic receptor muscarinic 3
TCMBANKGE008056	ADRA2C	ADRA2L2; ADRA2RL2; ADRARL2; ALPHA2CAR	adrenoceptor alpha 2C
TCMBANKGE009256	SLC6A2	NAT1; NET; NET1; SLC6A5	solute carrier family 6 member 2
TCMBANKGE012155	SLC6A3	DAT; DAT1; PKDYS; PKDYS1	solute carrier family 6 member 3
TCMBANKGE014790	ADRB1	ADRB1R; B1AR; BETA1AR; FNSS2; RHR	adrenoceptor beta 1