Compound Summary

  Compound Information

TCMBANKIN058530

药名:	isobetanin
别名:	DTXSID40422525; 15121-53-6; AC1O3DIE; CHEBI:5985; C08551; (2S)-1-[(2E)-2-[(2R)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate; (E)-1-((E)-2-(2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene)ethylidene)-6-hydroxy-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)indolinium-2-carboxylate; betanin; βetanin
分子式:	C24H26N2O13
Smiles:	C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O
成分:	HBIN030484; HBIN018208; HBIN024618; HBIN018104
OB_score:	19.058117;6.582229
CAS_id:	7659-95-2
SymMap_id:	SMIT00654; SMIT08235; SMIT03916
TCMID_id:	11249; 30652; 2322
TCMSP_id:	MOL006661; MOL001511; MOL006658
PubChem_id:	6325438; 134687889

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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

TCMBANKHE003863	Herba Cichorii	菊苣			To remove heat from the liver, to stimulate the discharge of bile, to promote digestion and increase appetite, and to cause diuresis./Treatment of jaundice caused by damp-heat, epigastric pain with impairment of appetite, edema with oliguria.
TCMBANKHE004999	Mesembryanthemum edule	食用日中花
TCMBANKHE007074	Opuntia vulgaris	绿仙人掌			See Opuntia dillenii ./See Opuntia dillenii.
TCMBANKHE006287	Herba Portulacae	马齿苋			To remove toxic heat, and to arrest bleeding./Heat toxin blood dysentery, acute bacillary dysentery, pertussis, enteritis, appendicitis, swollen welling abscess and clove sores, eczema, erysipelas, bleeding, postpartum bleeding, hematochezia, bleeding from hemorrhoids, flooding and spotting, ascariasis, ancylostomiasis, snake or insect bites.
TCMBANKHE006305	Phytolacca americana [Syn. Phytolacca decandra ]	美商陆			See Phytolacca esculenta./See Phytolacca esculenta.
TCMBANKHE006211	Flos Gomphree	千日红			Cough, asthma, pertussis, infant night crying, red eyes with gall, liver heat and dizziness, headache, dysentery, sore and boil.
TCMBANKHE006611	Portulaca grandiflora	大花马齿苋			To clear heat and resolve toxin, stanch bleeding and dissipate stasis./Swelling pain in throat, sore and boil, eczema, painful swelling from knocks and falls, burns and scalds, bleeding due to external injury.
TCMBANKHE008815	Portulaca pilosa	毛马齿苋			To clear heat and disinhibit damp, resolve toxin./Damp-heat dysentery, sore and boil.

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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

TCMBANKDI000037	Colitis	disease	Digestive System Diseases	28500644
TCMBANKDI000085	Inflammation	phenotype	Pathological Conditions, Signs and Symptoms	28500644

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   化合物对应的靶点

靶点ID	基因名	基因别名	描述

TCMBANKGE000053	NFKB1	CVID12; EBP-1; KBF1; NF-kB; NF-kB1; NF-kappa-B1; NF-kappaB; NF-kappabeta; NFKB-p105; NFKB-p50; NFkappaB	nuclear factor kappa B subunit 1
TCMBANKGE000111	BCL10	CARMEN; CIPER; CLAP; IMD37; c-E10; mE10	BCL10 immune signaling adaptor
TCMBANKGE000268	NUP62	IBSN; SNDI; p62	nucleoporin 62
TCMBANKGE001098	NFKBIA	EDAID2; IKBA; MAD-3; NFKBI	NFKB inhibitor alpha