TCM-ID Component

Description of the Component

Component ID	TCMH2337
Latin Name	Flos inulae
English Name	Inula flower
Chinese Pinyin Name	Xuan Fu Hua
中文名	旋覆花
TCM Properties	Minor Warm,Pungent,Bitter,Salty
TCM Meridians	Lung,Stomach
Therapeutic Class English	For desolving phlegm, stopping cougth, and soothing breathing
Therapeutic Class Chinese	化痰止咳平喘
Functions	relieve cough, eliminate phlegm, promote diuresis, and arrest vomiting
Toxicity	NA
Geo-authentic habitats (道地产区)	Henan Province
Reference	Chinese Pharmacopoeia (2015)
Barcode ID
Barcode Source

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx2354	Decoction of Poria
TCMF3233	Fei An Tablets	肺安片
TCMFx2257	Heavy Breathing Relieving Decoction
TCMF994	Huang Lian Shang Qing Capsule	黄连上清胶囊
TCMF157	Huang Lian Shang Qing Granules	黄连上清颗粒
TCMF4079	Huang Lian Shang Qing Pills	黄连上清丸
TCMF993	Huang Lian Shang Qing Tablet	黄连上清片
TCMF4072	Huang Lian Shang Qing Tablets	黄连上清片
TCMF1929	Inula Hematite Decoction	旋覆代赭汤
TCMF4583	Ji Ming Pills	鸡鸣丸
TCMF7335	Jin Fei Cao Powder	金沸草散
TCMF4339	Jing Zhi Ke Sou Tan Chuan Pills	京制咳嗽痰喘丸
TCMF4347	Jing Zhi Niu Huang Jie Du Tablets	京制牛黄解毒片
TCMF4504	Ming Mu Ji Li Pills	明目蒺藜丸
TCMF4922	Ning Sou Hua Tan Pills	宁嗽化痰丸
TCMF4925	Qi Guan Yan Pills	气管炎丸
TCMF5767	Run Fei Hua Tan Pills	润肺化痰丸
TCMF6011	Sou Feng Li Fei Pills	搜风理肺丸
TCMF1032	Ting Bei Capsule	葶贝胶囊
TCMF6556	Xiao Er Bai Ri Ke Powder	小儿百日咳散
TCMF6633	Xiao Er Fei Bi Ning Tablets	小儿肺闭宁片
TCMF6256	Xiao Er Qing Fei Pills	小儿清肺丸
TCMF2791	Xuan Fu Dai Zhe Decoction	旋覆代赭汤
TCMF7363	Xuan Fu Dai Zhe Shi Decoction	旋覆代赭石汤
TCMF6421	Yu Ye Jin Pills	玉液金丸
TCMF6577	Yuan Ji Lin Gan He Tea	源吉林甘和茶

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT100	TTR	Transthyretin	Unclassified	P02766
TCMT125	GBA	Beta-glucocerebrosidase	Hydrolase	P04062
TCMT127	PARP1	Poly [ADP-ribose] polymerase-1	Transferase	P09874
TCMT128	TNKS2	Tankyrase-2	Transferase	Q9H2K2
TCMT129	TNKS	Tankyrase-1	Transferase	O95271
TCMT133	CA1	Carbonic anhydrase I	Lyase	P00915
TCMT134	CA2	Carbonic anhydrase II	Lyase	P00918
TCMT135	CA14	Carbonic anhydrase XIV	Lyase	Q9ULX7
TCMT136	CA12	Carbonic anhydrase XII	Lyase	O43570
TCMT137	CA9	Carbonic anhydrase IX	Lyase	Q16790
TCMT138	CA7	Carbonic anhydrase VII	Lyase	P43166
TCMT139	CA6	Carbonic anhydrase VI	Lyase	P23280
TCMT140	CA5B	Carbonic anhydrase VB	Lyase	Q9Y2D0
TCMT141	CA5A	Carbonic anhydrase VA	Lyase	P35218
TCMT142	CA4	Carbonic anhydrase IV	Lyase	P22748
TCMT143	CA3	Carbonic anhydrase III	Lyase	P07451
TCMT159	TYR	Tyrosinase	Oxidoreductase	P14679
TCMT161	HCAR2	Hydroxycarboxylic acid receptor 2	GPCR	Q8TDS4
TCMT166	AKR1C2	Aldo-keto reductase family 1 member C2	Oxidoreductase	P52895
TCMT167	AKR1C3	Aldo-keto-reductase family 1 member C3	Oxidoreductase	P42330
TCMT168	AKR1C4	Aldo-keto reductase family 1 member C4	Oxidoreductase	P17516
TCMT17	POLB	DNA polymerase beta	Transferase	P06746
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT223	AKR1B1	Aldose reductase	Oxidoreductase	P15121
TCMT236	ESR2	Estrogen receptor beta	Nuclear receptor	Q92731
TCMT239	PIM1	Serine/threonine-protein kinase PIM1	Kinase	P11309
TCMT280	AKR1B10	Aldo-keto reductase family 1 member B10	Oxidoreductase	O60218
TCMT281	DPP4	Dipeptidyl peptidase IV	Unclassified	P27487
TCMT31	CYP2C19	Cytochrome P450 2C19	Oxidoreductase	P33261
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT82	ESR1	Estrogen receptor alpha	Nuclear receptor	P03372
TCMT87	CYP2C9	Cytochrome P450 2C9	Oxidoreductase	P11712

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1099	Neuraminidase
TCMT1212	Verticillium dahliae
TCMT1454	Bacillus subtilis
TCMT1455	Mycobacterium tuberculosis H37Rv

Ingredient Structrues

Ingredient ID: TCMC948
Formula: C9H8O3

Common Name	Coumaric Acid
IUPAC Name	(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
Canonical SMILES	OC(=O)/C=C/c1ccc(cc1)O
Standard InCHI	InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
Standard InCHIKey	NGSWKAQJJWESNS-ZZXKWVIFSA-N
External Identifiers	ChEMBL [CHEMBL66879]; PubChem [637542];
Reference of Component-Ingredient Pair	23800587

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸
TCMH2367	Linum usitatissimum	Ya Ma Zi	亚麻子
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH382	Allium sativum	Da Suan	大蒜
TCMH101	Chelidonium majus	Bai Qu Cai	白屈菜
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH1144	Schizonepetae herba	Jing Jie Tan	荆芥炭
TCMH63	Lilium brownii	Bai He Liu Jin Gao	百合流浸膏
TCMH143	Albizia julibrissin	Bei He Huan	北合欢
TCMH1693	Aristolochia debilis	Qing Mu Xiang	青木香
TCMH2040	Liquidambar orientalis	Su He Xiang	苏合香
TCMH1633	Taraxacum mongolicum	Pu Gong Ying Jin Gao	蒲公英浸膏
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH921	Polygonum cuspidatum	Hu Zhang	虎杖
TCMH2244	Prunella vulgaris	Xia Ku Cao	夏枯草
TCMH2642	Gardenia jasminoides	Zhi Zi Jin Gao	栀子浸膏
TCMH1146	Oryza sativa	Jing Mi	粳米
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH1498	Ranunculus ternatus	Mao Zhao Cao	猫爪草
TCMH25	Styrax benzoin	An Xi Xiang	安息香
TCMH2337	Flos inulae	Xuan Fu Hua	旋覆花
TCMH2696	Phyllostachys nigra	Zhu Ye	竹叶
TCMH2515	Papaver somniferum	Ying Su Ke	罂粟壳
TCMH1212	Melia azedarach	Ku Lian Zi	苦楝子
TCMH213	Boschniakia rossica	Cao Cong Rong	草苁蓉
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH910	Tadehagi triquetrum	Hu Lu Cha	葫芦茶
TCMH1096	Inula japonica	Jin Fei Cao	金沸草
TCMH449	Cortex lycii radicis	Di Gu Pi	地骨皮
TCMH2462	Crataegus pinnatifida	Ye Shan Zha	野山楂
TCMH526	Eucommia ulmoides	Du Zhong Ye	杜仲叶
TCMH1992	Polygonum orientale	Shui Hong Hua Ye	水红花叶
TCMH1322	Solanum nigrum	Long Kui	龙葵
TCMH1446	Vaccinium oxycoccos	Man Yue Mei	蔓越莓
TCMH859	Ormosia hosiei	Hong Dou	红豆
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH2232	Scutellaria amoena	Xi Nan Huang Qin	西南黄芩
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH1611	Rhizoma curcumae	Peng E Zhu	蓬莪术
TCMH255	Vigna angularis	Chi Dou	赤豆
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH1665	Notopterygium incisum	Qiang Huo	羌活
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH1033	Centella asiatica	Ji Xue Cao	积雪草
TCMH1854	Crataegi folium	Shan Zha Ye	山楂叶
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH1117	Rhizoma fagopyri cymosi	Jin Qiao Mai	金荞麦
TCMH1396	Portulaca oleracea	Ma Chi Xian	马齿苋
TCMH2297	Cirsium setosum	Xiao Ji	小蓟
TCMH1766	Sparganium stoloniferum	San Ling	三棱
TCMH1660	Senecio scandens	Qian Li Guang	千里光
TCMH1118	Lygodium japonicum	Jin Sha Teng	金沙藤
TCMH314	Ailanthus altissima	Chun Gen Pi	椿根皮
TCMH2370	Commelina communis	Ya Zhi Cao	鸭跖草
TCMH1448	Mangifera indica	Mang Guo Ye	芒果叶
TCMH1339	Phragmites communis	Lu Gen	芦根
TCMH1466	Rosa rugosa	Mei Gui Hua	玫瑰花
TCMH936	Platycarya strobilacea	Hua Xiang Shu Guo Xu	化香树果序
TCMH71	Oldenlandia diffusa	Bai Hua She She Cao	白花蛇舌草
TCMH132	Scutellaria barbata	Ban Zhi Lian	半枝莲
TCMH2558	Rosa chinensis	Yue Ji Hua	月季花
TCMH718	Aristolochia manshuriensis	Guan Mu Tong	关木通
TCMH2267	Periploca sepium	Xiang Jia Pi	香加皮
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH1142	Schizonepetae spica	Jing Jie Sui	荆芥穗
TCMH1437	Rhododendron dauricum	Man Shan Hong	满山红
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH2553	Scrophularia ningpoensis	Yuan Shen	元参
TCMH2069	Aconitum tanguticum	Tang Gu Te Wu Tou	唐古特乌头
TCMH737	Crataegus pinnatifida	Guang Shan Zha	广山楂
TCMH1848	Crataegus pinnatifida	Shan Zha	山楂
TCMH1849	Crataegus pinnatifida	Shan Zha Chou Gao	山楂稠膏
TCMH1852	Crataegus pinnatifida	Shan Zha Qing Gao	山楂清膏
TCMH1853	Crataegus pinnatifida	Shan Zha Tan	山楂炭
TCMH1175	Cornus officinalis	Jiu Yu Rou	酒萸肉
TCMH62	Lilium brownii	Bai He	百合
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH524	Eucommia ulmoides	Du Zhong	杜仲
TCMH525	Eucommia ulmoides	Du Zhong Tan	杜仲炭
TCMH1185	Lycium chinense	Gou Qi	枸杞
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH310	Melia azedarach	Chuan Lian	川楝
TCMH1211	Melia azedarach	Ku Lian Pi	苦楝皮
TCMH780	Lygodium japonicum	Hai Jin Sha	海金砂
TCMH781	Lygodium japonicum	Hai Jin Sha Cao	海金沙草
TCMH782	Lygodium japonicum	Hai Jin Sha Teng	海金沙藤
TCMH783	Lygodium japonicum	Hai Jin Sha Teng Gan Jin Gao	海金沙藤干浸膏
TCMH544	Curcuma aeruginosa	E Zhu	莪术
TCMH740	Rhizoma curcumae	Guang Xi E Zhu	广西莪术
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子
TCMH473	Phyllostachys nigra	Dian Zhu Ye	滇竹叶
TCMH1397	Aristolochia debilis	Ma Dou Ling	马兜铃
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH978	Taraxacum mongolicum	Huang Miao	黄苗
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	蒲公英
TCMH935	Platycarya strobilacea	Hua Xiang Shu Guo	化香树果
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁
TCMH292	Notopterygium incisum	Chuan Qiang Huo	川羌活
TCMH1991	Polygonum orientale	Shui Hong Hua	水红花
TCMH814	Nelumbo nucifera	He Geng	荷梗
TCMH825	Nelumbo nucifera	He Ye	荷叶
TCMH1275	Nelumbo nucifera	Lian Zi	莲子
TCMH1276	Nelumbo nucifera	Lian Zi Xin	莲子心
TCMH1598	Nelumbo nucifera	Ou	藕
TCMH1599	Nelumbo nucifera	Ou Fen	藕粉
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏
TCMH1489	Papaver somniferum	Mi Ying Su Ke	蜜罂粟壳
TCMH2514	Papaver somniferum	Ying Su	罂粟
TCMH1856	Gardenia jasminoides	Shan Zhi	山栀
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子
TCMH2343	Scrophularia ningpoensis	Xuan Shen	玄参

Ingredient ID: TCMC6845
Formula: C32H46N2O8

Common Name	Anthranoyllycoctonine
IUPAC Name	[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-aminobenzoate
Canonical SMILES	CO[C@H]1[C@@H]2[C@]3(CC[C@@H]([C@@]42[C@@H]([C@@]1(O)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@H]2OC)OC)[NH+](C3)CC)OC)COC(=O)c1ccccc1N
Standard InCHI	InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/p+1/t18-,19-,21+,22+,23-,24+,25-,26+,28+,29+,30-,31+,32-/m1/s1
Standard InCHIKey	NNDHDYDFEDRMGH-IUQDZDMUSA-O
External Identifiers	ChEMBL [N/A]; PubChem [57519466];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2337	Flos inulae	Xuan Fu Hua	旋覆花

Ingredient ID: TCMC6843
Formula: C25H41NO7

Common Name	Lycoctonine
IUPAC Name	(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-13-(hydroxymethyl)-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9-diol
Canonical SMILES	CO[C@H]1C[C@@]2(O)[C@H]3[C@H]([C@@H]1C[C@H]3[C@@]13[C@H]4[C@]2(O)[C@@H](OC)[C@@H]1[C@@](C[NH+]4CC)(CO)CC[C@@H]3OC)OC
Standard InCHI	InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/p+1/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1
Standard InCHIKey	YOTUXHIWBVZAJQ-DIZROUMASA-O
External Identifiers	ChEMBL [N/A]; PubChem [57506221];
Reference of Component-Ingredient Pair	11599346

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2337	Flos inulae	Xuan Fu Hua	旋覆花

Ingredient ID: TCMC4841
Formula: C21H20O13

Common Name	Quercetagitrin
IUPAC Name	2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc3oc(c4ccc(c(c4)O)O)c(c(=O)c3c(c2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C21H20O13/c22-5-11-14(26)17(29)19(31)21(34-11)33-10-4-9-12(15(27)13(10)25)16(28)18(30)20(32-9)6-1-2-7(23)8(24)3-6/h1-4,11,14,17,19,21-27,29-31H,5H2/t11-,14-,17+,19-,21-/m1/s1
Standard InCHIKey	IDTDRZPBDLMCLB-HSOQPIRZSA-N
External Identifiers	ChEMBL [CHEMBL496680]; PubChem [5320826];
Reference of Component-Ingredient Pair	28578091

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2337	Flos inulae	Xuan Fu Hua	旋覆花

Ingredient ID: TCMC4826
Formula: C22H22O13

Common Name	Patuletin-7-O-Β-D-Glucopyranoside
IUPAC Name	2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc3oc(c4ccc(c(c4)O)O)c(c(=O)c3c(c2OC)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m1/s1
Standard InCHIKey	AFCDXKGLUDDXCK-LMTLLXHESA-N
External Identifiers	ChEMBL [CHEMBL480855]; PubChem [5320435];
Reference of Component-Ingredient Pair	29362590

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2337	Flos inulae	Xuan Fu Hua	旋覆花

Ingredient ID: TCMC4450
Formula: C19H26O7

Common Name	Britanin
IUPAC Name	[(3aS,5R,5aS,6R,8S,8aS,9S,9aR)-9-acetyloxy-8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
Canonical SMILES	CC(=O)O[C@H]1[C@H]2[C@H](C[C@H]([C@H]3[C@@]1(C)[C@@H](O)C[C@H]3OC(=O)C)C)OC(=O)C2=C
Standard InCHI	InChI=1S/C19H26O7/c1-8-6-12-15(9(2)18(23)26-12)17(25-11(4)21)19(5)14(22)7-13(16(8)19)24-10(3)20/h8,12-17,22H,2,6-7H2,1,3-5H3/t8-,12+,13-,14+,15-,16-,17+,19-/m1/s1
Standard InCHIKey	JXEGMONJOSAULB-NKNCGKRASA-N
External Identifiers	ChEMBL [N/A]; PubChem [5315501];
Reference of Component-Ingredient Pair	24387187

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1096	Inula japonica	Jin Fei Cao	金沸草
TCMH2337	Flos inulae	Xuan Fu Hua	旋覆花

Ingredient ID: TCMC4370
Formula: C16H12O6

Common Name	Pratensein
IUPAC Name	5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one
Canonical SMILES	COc1ccc(cc1O)c1coc2c(c1=O)c(O)cc(c2)O
Standard InCHI	InChI=1S/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3
Standard InCHIKey	FPIOBTBNRZPWJW-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL252904]; PubChem [5281803];
Reference of Component-Ingredient Pair	18098226

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2337	Flos inulae	Xuan Fu Hua	旋覆花
TCMH1503	Eclipta prostrata	Mo Han Lian	墨旱莲

Ingredient ID: TCMC4346
Formula: C16H12O7

Common Name	Azaleatin
IUPAC Name	2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxychromen-4-one
Canonical SMILES	COc1cc(O)cc2c1c(=O)c(c(o2)c1ccc(c(c1)O)O)O
Standard InCHI	InChI=1S/C16H12O7/c1-22-11-5-8(17)6-12-13(11)14(20)15(21)16(23-12)7-2-3-9(18)10(19)4-7/h2-6,17-19,21H,1H3
Standard InCHIKey	RJBAXROZAXAEEM-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL470848]; PubChem [5281604];
Reference of Component-Ingredient Pair	22557154

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH672	Alpinia officinarum	Gao Liang Jiang	高良姜
TCMH1437	Rhododendron dauricum	Man Shan Hong	满山红
TCMH2337	Flos inulae	Xuan Fu Hua	旋覆花

Ingredient ID: TCMC3878
Formula: C17H24O5

Common Name	Inulicin
IUPAC Name	3-[(3aS,4R,5R,8aR)-4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-4,5,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]propyl acetate
Canonical SMILES	CC(=O)OCCCC1=C(C)C[C@@H]2[C@H]([C@@H]([C@@H]1C)O)C(=C)C(=O)O2
Standard InCHI	InChI=1S/C17H24O5/c1-9-8-14-15(11(3)17(20)22-14)16(19)10(2)13(9)6-5-7-21-12(4)18/h10,14-16,19H,3,5-8H2,1-2,4H3/t10-,14-,15-,16-/m1/s1
Standard InCHIKey	QKVABRCMWRXFAF-HMTTWLPMSA-N
External Identifiers	ChEMBL [N/A]; PubChem [442263];
Reference of Component-Ingredient Pair	21141515

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1096	Inula japonica	Jin Fei Cao	金沸草
TCMH2337	Flos inulae	Xuan Fu Hua	旋覆花

Ingredient ID: TCMC3431
Formula: C22H22O12

Common Name	Eupafolin-7-Glucoside
IUPAC Name	2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2OC)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C22H22O12/c1-31-21-14(33-22-20(30)19(29)17(27)15(7-23)34-22)6-13-16(18(21)28)11(26)5-12(32-13)8-2-3-9(24)10(25)4-8/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19+,20-,22-/m1/s1
Standard InCHIKey	DMXHXBGUNHLMQO-IWLDQSELSA-N
External Identifiers	ChEMBL [CHEMBL517682]; PubChem [120742];
Reference of Component-Ingredient Pair	29040957

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2337	Flos inulae	Xuan Fu Hua	旋覆花

Ingredient ID: TCMC3422
Formula: C30H52O

Common Name	Epifriedelanol
IUPAC Name	(3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol
Canonical SMILES	O[C@H]1CC[C@@H]2[C@]([C@H]1C)(C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C
Standard InCHI	InChI=1S/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1
Standard InCHIKey	XCDQFROEGGNAER-PFOIMGGJSA-N
External Identifiers	ChEMBL [CHEMBL464649]; PubChem [119242];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2728	Aster tataricus	Zi Wan	紫菀
TCMH2337	Flos inulae	Xuan Fu Hua	旋覆花

Ingredient ID: TCMC3412
Formula: C30H50O

Common Name	Taraxasterol
IUPAC Name	(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol
Canonical SMILES	C=C1CC[C@]2([C@H]([C@@H]1C)[C@H]1CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C
Standard InCHI	InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22+,23-,24+,25-,27-,28+,29-,30-/m1/s1
Standard InCHIKey	XWMMEBCFHUKHEX-ZJJHUPNDSA-N
External Identifiers	ChEMBL [N/A]; PubChem [115250];
Reference of Component-Ingredient Pair	22490120

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1096	Inula japonica	Jin Fei Cao	金沸草
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	蒲公英
TCMH2337	Flos inulae	Xuan Fu Hua	旋覆花

Ingredient ID: TCMC2830
Formula: C7H6O3

Common Name	P-Hydroxybenzoic Acid
IUPAC Name	4-hydroxybenzoic acid
Canonical SMILES	[O-]C(=O)c1ccc(cc1)O
Standard InCHI	InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/p-1
Standard InCHIKey	FJKROLUGYXJWQN-UHFFFAOYSA-M
External Identifiers	ChEMBL [CHEMBL441343]; PubChem [135];
Reference of Component-Ingredient Pair	24685503

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH122	Lobelia chinensis	Ban Bian Lian	半边莲
TCMH1432	Vitex trifolia	Man Jing Zi	蔓荆子
TCMH1535	Equisetum hiemale	Mu Zei	木贼
TCMH2337	Flos inulae	Xuan Fu Hua	旋覆花

Ingredient ID: TCMC1932
Formula: C16H12O4

Common Name	Pratol
IUPAC Name	7-hydroxy-2-(4-methoxyphenyl)chromen-4-one
Canonical SMILES	COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2)O
Standard InCHI	InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-9,17H,1H3
Standard InCHIKey	SQVXWIUVAILQRH-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL16751]; PubChem [5320693];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2337	Flos inulae	Xuan Fu Hua	旋覆花
TCMH1117	Rhizoma fagopyri cymosi	Jin Qiao Mai	金荞麦

Ingredient ID: TCMC1329
Formula: C16H12O6

Common Name	Hispidulin
IUPAC Name	5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one
Canonical SMILES	COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O
Standard InCHI	InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
Standard InCHIKey	IHFBPDAQLQOCBX-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL293776]; PubChem [5281628];
Reference of Component-Ingredient Pair	22978216

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2012	Lycopus lucidus	Shui Ze Lan	水泽兰
TCMH2352	Saussurea involucrata	Xue Lian Hua	雪莲花
TCMH537	Centipeda minima	E Bu Shi Cao Nong Suo Ye	鹅不食草浓缩液
TCMH370	Herba cirsii japonici	Da Ji(1)	大蓟
TCMH2337	Flos inulae	Xuan Fu Hua	旋覆花
TCMH2515	Papaver somniferum	Ying Su Ke	罂粟壳
TCMH448	Fructus kochiae	Di Fu Zi	地肤子
TCMH699	Eriocaulon buergerianum	Gu Jing Cao	谷精草
TCMH240	Plantago depressa	Che Qian Cao	车前草
TCMH1067	Glycine max	Jiang Tan	姜炭
TCMH874	Herba lagotidis	Hong Lian	洪连
TCMH2450	Scoparia dulcis	Ye Gan Cao	野甘草
TCMH2278	Abrus precatorius	Xiang Si Zi	相思子
TCMH2297	Cirsium setosum	Xiao Ji	小蓟
TCMH2066	Santalum album	Tan Xiang	檀香
TCMH202	Bombyx mori	Can Yong	蚕蛹
TCMH132	Scutellaria barbata	Ban Zhi Lian	半枝莲
TCMH2135	Glycyrrhiza uralensis	Tu Gan Cao	土甘草
TCMH13	Artemisia argyi	Ai Ye You	艾叶油
TCMH2098	Saussurea involucrata	Tian Shan Xue Lian Hua	天山雪莲花
TCMH2351	Saussurea involucrata	Xue Lian	雪莲
TCMH75	Bombyx mori	Bai Jiang Can	白僵蚕
TCMH197	Bombyx mori	Can E	蚕蛾
TCMH200	Bombyx mori	Can Jian	蚕茧
TCMH201	Bombyx mori	Can Sha	蚕砂
TCMH368	Herba cirsii japonici	Da Ji Gen	大蓟根
TCMH369	Herba cirsii japonici	Da Ji Gen Jin Gao	大蓟根浸膏
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH2277	Abrus precatorius	Xiang Si Teng	相思藤
TCMH628	Glycyrrhiza uralensis	Gan Cao	甘草
TCMH629	Glycyrrhiza uralensis	Gan Cao Fen	甘草粉
TCMH630	Glycyrrhiza uralensis	Gan Cao Gan Gao	甘草干膏
TCMH631	Glycyrrhiza uralensis	Gan Cao Gan Gao Fen	甘草干膏粉
TCMH632	Glycyrrhiza uralensis	Gan Cao Gan Jin Gao	甘草干浸膏
TCMH633	Glycyrrhiza uralensis	Gan Cao Gao	甘草膏
TCMH634	Glycyrrhiza uralensis	Gan Cao Jie	甘草节
TCMH635	Glycyrrhiza uralensis	Gan Cao Jin Gao	甘草浸膏
TCMH636	Glycyrrhiza uralensis	Gan Cao Liu Jin Gao	甘草流浸膏
TCMH1475	Glycyrrhiza uralensis	Mi Gan Cao	蜜甘草
TCMH1899	Glycyrrhiza uralensis	Sheng Gan Cao	生甘草
TCMH397	Glycine max	Dan Dou Gu	淡豆鼓
TCMH416	Glycine max	Dan Xiang Chi	淡香豉
TCMH515	Glycine max	Dou You	豆油
TCMH833	Glycine max	Hei Da Dou	黑大豆
TCMH1059	Glycine max	Jiang	姜
TCMH1062	Glycine max	Jiang Gao	姜膏
TCMH536	Centipeda minima	E Bu Shi Cao	鹅不食草
TCMH1489	Papaver somniferum	Mi Ying Su Ke	蜜罂粟壳
TCMH2514	Papaver somniferum	Ying Su	罂粟

Ingredient ID: TCMC1145
Formula: C11H12O4

Common Name	Ethyl Caffeate
IUPAC Name	ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Canonical SMILES	CCOC(=O)/C=C/c1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+
Standard InCHIKey	WDKYDMULARNCIS-GQCTYLIASA-N
External Identifiers	ChEMBL [CHEMBL17347]; PubChem [5317238];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1633	Taraxacum mongolicum	Pu Gong Ying Jin Gao	蒲公英浸膏
TCMH2337	Flos inulae	Xuan Fu Hua	旋覆花
TCMH526	Eucommia ulmoides	Du Zhong Ye	杜仲叶
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH2374	Phellodendron amurense	Yan Guan Huang Bai	盐关黄柏
TCMH2023	Chloranthus holostegius	Si Kuai Wa	四块瓦
TCMH205	Xanthium sibiricum	Cang Er Cao	苍耳草
TCMH1483	Tussilago farfara	Mi Kuan Dong Hua	蜜款冬花
TCMH1153	Vinum	Jiu	酒
TCMH2267	Periploca sepium	Xiang Jia Pi	香加皮
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH524	Eucommia ulmoides	Du Zhong	杜仲
TCMH525	Eucommia ulmoides	Du Zhong Tan	杜仲炭
TCMH204	Xanthium sibiricum	Cang Er	苍耳
TCMH717	Phellodendron amurense	Guan Huang Bai	关黄柏
TCMH949	Phellodendron amurense	Huang Bai	黄柏
TCMH950	Phellodendron amurense	Huang Bai Fen	黄柏粉
TCMH951	Phellodendron amurense	Huang Bai Tan	黄柏炭
TCMH978	Taraxacum mongolicum	Huang Miao	黄苗
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	蒲公英
TCMH1223	Tussilago farfara	Kuan Dong Hua	款冬花

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC948	C9H8O3	Coumaric Acid	164.05	-0.339	2.12	1.886	2	2	57.53	4	1	12	0
TCMC1145	C11H12O4	Ethyl Caffeate	208.07	-0.2979	2.23	1.885	2	2	66.76	7	1	15	0
TCMC1329	C16H12O6	Hispidulin	300.06	-1.9363	2.56	1.123	1	3	96.22	6	3	22	0
TCMC1932	C16H12O4	Pratol	268.07	-1.0157	2.78	3.049	1	1	55.76	4	3	20	0
TCMC2830	C7H6O3	P-Hydroxybenzoic Acid	137.023869	-1.3779	1.9	0.589	2	1	60.36	1	1	10	0
TCMC3412	C30H50O	Taraxasterol	426.3861662	2.5638	4.65	11.796	1	1	20.23	0	5	31	1
TCMC3422	C30H52O	Epifriedelanol	428.4018163	2.4864	4.65	13.026	1	1	20.23	0	5	31	1
TCMC3431	C22H22O12	Eupafolin-7-Glucoside	478.1111261	-3.7765	2.56	-0.96	6	7	186.37	5	4	34	1
TCMC3878	C17H24O5	Inulicin	308.1623739	0.1728	2.78	0.7	5	1	72.83	5	2	22	0
TCMC4346	C16H12O7	Azaleatin	316.0583027	-2.0257	2.45	1.595	2	4	107.22	2	3	23	0
TCMC4370	C16H12O6	Pratensein	300.0633881	-1.5868	2.56	0.781	1	3	86.99	2	3	22	0
TCMC4450	C19H26O7	Britanin	366.1678532	-0.3707	2.78	1.726	7	1	99.13	4	3	26	0
TCMC4826	C22H22O13	Patuletin-7-O-Β-D-Glucopyranoside	494.1060408	-4.2329	2.45	-0.476	7	8	206.6	5	4	35	1
TCMC4841	C21H20O13	Quercetagitrin	480.0903907	-4.6414	2.34	-0.566	7	9	217.6	4	4	34	1
TCMC6843	C25H41NO7	Lycoctonine	468.2961277	-4.9025	3.33	-0.376	7	4	102.05	6	6	33	0
TCMC6845	C32H46N2O8	Anthranoyllycoctonine	587.3332415	-5.2832	3.88	2.087	9	4	134.14	9	7	42	0

Download Data

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Data Section	Select to Download
1. General Information of the Component
2. TCM Prescriptions with the Component
3. Putative Targets
4. Activity & References for Filtering Putative Targets
5. Ingredient Data & Chemical Structure Information (Properties, InChI, InChIkey, SMILES, etc.)

Component: Flos inulae 旋覆花

Description of the Component

Component ID

Latin Name

English Name

Chinese Pinyin Name

中文名

TCM Properties

TCM Meridians

Therapeutic Class English

Therapeutic Class Chinese

Functions

Toxicity

Geo-authentic habitats (道地产区)

Reference

Barcode ID

Barcode Source

TCM Prescriptions with the Component

Targeted Human Proteins by the Ingredient of Component

Targeted Pathogenic Microbes by the Ingredient of Component

Ingredient Structrues

Ingredient ID: TCMC948

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6845

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6843

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4841

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4826

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4450

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4370

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4346

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3878

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3431

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3422

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3412

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2830

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1932

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1329

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1145

Occurrence of the ingredient across TCM components

Properties

Download Data