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Compound Summary

Compound Information

药名:	Fumaricine
别名:	(1R,8'S)-6,7-dimethoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; Fumaricin; C09444; (1R,8'S)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; BRD-A87196087-001-01-3; O-Methylfumarophycinol; Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8-ol, 3',4',6,8-tetrahydro-6',7'-dimethoxy-2'-methyl-, trans-(-)-; 24181-77-9; 6',7'-DIMETHOXY-2'-METHYL-3',4',6,8-TETRAHYDRO-2H-SPIRO[INDENO[4,5-D][1,3]DIOXOLE-7,1'-ISOQUINOLIN]-8-OL; (1R,8'S)-6,7-dimethoxy-2-methyl-8'-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]ol; MolPort-005-945-964; AC1LD0NJ; Dihydroparfumidine; QDNMFIYGVRUVCE-UHFFFAOYSA-N; 6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; ACon1_001324; fumaricine; Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8-ol, 3',4',6,8-tetrahydro-6',7'-dimethoxy-2'-methyl-, (7S-trans)-
分子式:	C21H23NO5
Smiles:	C([H])([H])([H])Oc1c([H])c(C([H])([H])C([H])([H])N(C([H])([H])[H])[C@@]23C([H])([H])c(c([H])c([H])c(OC([H])([H])O4)c45)c5[C@@]2(O[H])[H])c3c([H])c1OC([H])([H])[H]
成分:	HBIN026828
OB_score:	9.915509
CAS_id:	24181-77-9
SymMap_id:	SMIT13974;SMIT15420
TCMID_id:	7996
TCMSP_id:	MOL013304
PubChem_id:	609998

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

TCMBANKHE004076	Cladonia fallax	金刷把			To relieve pain, calm./Epilepsy, schizophrenia, neurasthenia, dizziness and dim vision.
TCMBANKHE004259	Plantago major	大车前			See Plantago asiatica./See Plantago asiatica.
TCMBANKHE004415	Fumaria officinalis	药用球果紫堇
TCMBANKHE006222	Glaucium flavum	黄海罂粟
TCMBANKHE005043	herba pyrolae chinensis	鹿衔草			To relieve rheumatic conditions, to strengthen the tendons and bones, and to arrest bleeding./Pulmonary infection, intestinal infection, urinary tract infection, infant diarrhea, acute dysentery, wind-damp impediment pain, lassitude in lumbus and knees, profuse menstruation, enduring cough.
TCMBANKHE005080	Cladonia rangiferina	石蕊			To clear heat, moisten dryness, cool liver, transform phlegm, disinhibit damp./heat vexation and disquiet, dry throat and phlegm node, dim vision and eye screen, heat strangury, jaundice.
TCMBANKHE008846	Lithospermum arvense	麦家公			To warm center and move qi , disperse swelling and relieve pain./Stomach cold distending pain, hyperchlorhydria, painful swelling from knocks and falls, fracture.
TCMBANKHE006534	Saccharum sinensis	甘蔗			To clear heat and engender liquid, moisten dryness and harmonize center, resolve toxin./Heat vexation, diabetes mellitus, vomiting nausea, vacuity heat cough, dry stool, swelling of welling abscess, welling abscess and flat abscess with swelling sore.
TCMBANKHE008006	Urtica dioica	异株荨麻			See Urtica cannabina./See Urtica cannabina.
TCMBANKHE007827	Ganoderma japonicum [Syn. Ganoderma sinense]	紫芝			See Ganoderma lucidum./See Ganoderma lucidum.
TCMBANKHE008552	Herba Capsellae	荠菜			1. Cool the blood and stop bleeding. 2. Clear away heat and promote diuresis. 3. Lower blood pressure./Blood ejection, spontaneous external bleeding, hemoptysis, hematuria, flooding and spotting, red eyes with gall, eyeground hemorrhage, hypertension, red and white dysentery, nephritis with edema, chyluria.
TCMBANKHE006496	Daphniphyllum calycinum	牛耳枫子			To check dysentery./Chronic dysentery.
TCMBANKHE006696	Pisum sativum	豌豆			To harmonize center and precipitate qi, free milk and disinhibit water, resolve toxin./Cholera cramp, beriberi with edema, diabetes mellitus, vomiting of sour matter, abdominal distention and diarrhea, scant breast milk, swollen welling abscess.
TCMBANKHE009047	Malus domestica	苹果海棠
TCMBANKHE007150/YEM-237/XU-798	Helianthus annuus\|Helianthus annuus L.	向日葵籽\|向日葵	向日葵	云南民族药物志：第二卷\|云南省昆明市呈贡区	To outthrust papules, check dysentery, outthrust welling abscess and pus./Blood dysentery, welling abscess with pus swelling.	阿昌族/傣族/德昂族/景颇族/傈僳族/藏族
TCMBANKHE007246/YEM-255	Pyrrosia sheareri\|Pyrrosia sheareri( Baker )Ching	庐山石韦	庐山石韦	云南民族药物志：第二卷	See Pyrrosia lingua./See Pyrrosia lingua.	苗族/彝族/藏族
TCMBANKHE007824/YEM-258/XU-654	Ficus carica\|Ficus carica L.\|Ficus carica Linn.	无花果	无花果	云南民族药物志：第二卷\|云南省曲靖市宣威市	To clear heat and engender liquid, fortify spleen and promote digestion, resolve toxin and disperse swelling./Swelling pain in throat, dry cough with hoarseness, scant breast milk, intestinal heat and constipation, inappetence, indigestion, diarrhea, dysentery, swollen welling abscess, lichen.	傣族/哈尼族/苗族/佤族
TCMBANKHE008576/YEM-567	Euphorbia antiquorum\|Euphorbia antiquorum L.	火殃勒	金刚纂	云南民族药物志：第三卷	To disinhibit urine and free stool, draw out toxin and remove putrid, kill worms and relieve itch./Edema, ascites, diarrhea, dysentery, food accumulation, lump glomus, clove sore, welling absc ess and flat abscess, scab and lichen.	阿昌族/傣族/德昂族/哈尼族/基诺族/景颇族/傈僳族/佤族/瑶族/彝族/壮族
TCMBANKHE007964/YEM-607	Sarcandra glabra [Syn. Chloranthus glaber]\|Sarcandra glabra(Thunb.)Nakai	九节茶\|草珊瑚	九节茶	云南民族药物志：第三卷	To dispel wind and eliminate damp, quicken blood and dissipate stasis, clear heat and resolve toxin./Wind-damp impediment pain, numbness in limbs, knocks and falls, fracture, dysmenorrhea, postpartum blood stasis abdominal pain, pneumonia, acute appendicitis, bacillary dysentery, cholecystitis, abscess, stomatitis.	阿昌族/傣族/德昂族/哈尼族/景颇族/拉祜族/傈僳族/苗族/水族/瑶族/壮族

植物对应的疾病

疾病ID	病名	疾病类型	MeSH	参考文献

化合物对应的靶点

靶点ID	基因名	基因别名	描述

TCMBANKGE000181	PIM1	PIM	Pim-1 proto-oncogene, serine/threonine kinase
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
TCMBANKGE000309	SCN5A	CDCD2; CMD1E; CMPD2; HB1; HB2; HBBD; HH1; ICCD; IVF; LQT3; Nav1.5; PFHB1; SSS1; VF1	sodium voltage-gated channel alpha subunit 5
TCMBANKGE000474	NCOA1	F-SRC-1; KAT13A; RIP160; SRC1; bHLHe42; bHLHe74	nuclear receptor coactivator 1
TCMBANKGE000478	CHEK1	CHK1	checkpoint kinase 1
TCMBANKGE000701	ESR2	ER-BETA; ESR-BETA; ESRB; ESTRB; Erb; NR3A2; ODG8	estrogen receptor 2
TCMBANKGE000766	ACHE	ACEE; ARACHE; N-ACHE; YT	acetylcholinesterase (Cartwright blood group)
TCMBANKGE000813	DPP4	ADABP; ADCP2; CD26; DPPIV; TP103	dipeptidyl peptidase 4
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
TCMBANKGE001506	ADRA1B	ADRA1; ALPHA1BAR	adrenoceptor alpha 1B
TCMBANKGE001943	ADRA1D	ADRA1; ADRA1A; ADRA1R; ALPHA1; DAR; dJ779E11.2	adrenoceptor alpha 1D
TCMBANKGE004266	AR	AIS; AR8; DHTR; HUMARA; HYSP1; KD; NR3C4; SBMA; SMAX1; TFM	androgen receptor
TCMBANKGE005535	CHRM1	HM1; M1; M1R	cholinergic receptor muscarinic 1
TCMBANKGE006943	CHRM3	EGBRS; HM3; PBS	cholinergic receptor muscarinic 3
TCMBANKGE008702	OPRM1	LMOR; M-OR-1; MOP; MOR; MOR1; OPRM	opioid receptor mu 1
TCMBANKGE009455	CHRM5	HM5	cholinergic receptor muscarinic 5
TCMBANKGE014625	OPRD1	DOP; DOR; DOR1; OPRD	opioid receptor delta 1

药名:

Fumaricine

别名:

分子式:

C21H23NO5

Smiles:

C([H])([H])([H])Oc1c([H])c(C([H])([H])C([H])([H])N(C([H])([H])[H])[C@@]23C([H])([H])c(c([H])c([H])c(OC([H])([H])O4)c45)c5[C@@]2(O[H])[H])c3c([H])c1OC([H])([H])[H]

成分:

HBIN026828

OB_score:

9.915509

CAS_id:

24181-77-9

SymMap_id:

SMIT13974;SMIT15420

TCMID_id:

7996

TCMSP_id:

MOL013304

PubChem_id:

609998