TCM-ID Component

Description of the Component

Component ID	TCMH1154
Latin Name	Ilex rotunda
English Name	Ovateleaf holly
Chinese Pinyin Name	Jiu Bi Ying
中文名	救必应
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity	NA
Geo-authentic habitats (道地产区)	NA
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	ITSAN832-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx563	Chang Wei Shi Capsule	肠胃适胶囊
TCMFx3091	Chang Wei Shi Capsules	肠胃适胶囊
TCMFx3184	Fei Yang Chang Wei Yan Tablets	飞扬肠胃炎片
TCMFx3631	Fu Fang Jiu Bi Ying Capsules	复方救必应胶囊
TCMFx3459	Fu Ke An Tablets	腹可安片
TCMF3485	Gan He Tea	甘和茶
TCMFx4547	Kuai Ying Tea	快应茶
TCMFx4862	Luo Fu Shan Bai Cao You	罗浮山百草油
TCMFx5564	Wei An Ning Tablets	胃安宁片

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT101	PTPN1	Protein-tyrosine phosphatase 1B	Hydrolase	P18031
TCMT112	ADORA3	Adenosine A3 receptor	GPCR	P0DMS8
TCMT127	PARP1	Poly [ADP-ribose] polymerase-1	Transferase	P09874
TCMT128	TNKS2	Tankyrase-2	Transferase	Q9H2K2
TCMT129	TNKS	Tankyrase-1	Transferase	O95271
TCMT130	ALOX5	Arachidonate 5-lipoxygenase	Oxidoreductase	P09917
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
TCMT150	RORC	Nuclear receptor ROR-gamma	Nuclear receptor	P51449
TCMT156	CYP19A1	Cytochrome P450 19A1	Oxidoreductase	P11511
TCMT158	EPHX2	Epoxide hydratase	Lyase	P34913
TCMT174	HSD11B1	11-beta-hydroxysteroid dehydrogenase 1	Oxidoreductase	P28845
TCMT187	AR	Androgen Receptor	Nuclear receptor	P10275
TCMT208	MAOA	Monoamine oxidase A	Oxidoreductase	P21397
TCMT225	CA13	Carbonic anhydrase XIII	Lyase	Q8N1Q1
TCMT248	CXCL8	Interleukin-8	Unclassified	P10145
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT423	EGFR	Epidermal growth factor receptor erbB1	Kinase	P00533
TCMT65	HSD17B1	Estradiol 17-beta-dehydrogenase 1	Oxidoreductase	P14061
TCMT66	HSD17B2	Estradiol 17-beta-dehydrogenase 2	Oxidoreductase	P37059

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1438	Plasmodium falciparum

Ingredient Structrues

Ingredient ID: TCMC6133
Formula: C36H58O10

Common Name	Pedunculoside
IUPAC Name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC(=O)[C@@]23CC[C@H]([C@@]([C@H]3C3=CC[C@H]4[C@@]([C@@]3(CC2)C)(C)CC[C@@H]2[C@]4(C)CC[C@@H]([C@@]2(C)CO)O)(C)O)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C36H58O10/c1-19-9-14-36(30(43)46-29-27(42)26(41)25(40)21(17-37)45-29)16-15-33(4)20(28(36)35(19,6)44)7-8-23-31(2)12-11-24(39)32(3,18-38)22(31)10-13-34(23,33)5/h7,19,21-29,37-42,44H,8-18H2,1-6H3/t19-,21-,22-,23-,24+,25-,26+,27-,28-,29+,31+,32+,33-,34-,35-,36+/m1/s1
Standard InCHIKey	LARPFJIXBULVPK-FBAXZNBGSA-N
External Identifiers	ChEMBL [CHEMBL508539]; PubChem [14286954];
Reference of Component-Ingredient Pair	8216789

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1154	Ilex rotunda	Jiu Bi Ying	救必应

Ingredient ID: TCMC5461
Formula: C18H24O9

Common Name	Sinapaldehyde Glucoside
IUPAC Name	(E)-4-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]but-3-en-2-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2c(OC)cc(cc2OC)/C=C/C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C18H24O9/c1-9(20)4-5-10-6-11(24-2)17(12(7-10)25-3)27-18-16(23)15(22)14(21)13(8-19)26-18/h4-7,13-16,18-19,21-23H,8H2,1-3H3/b5-4+/t13-,14-,15+,16-,18+/m1/s1
Standard InCHIKey	NJIDBJNWHPSXTE-LSUNSJSKSA-N
External Identifiers	ChEMBL [CHEMBL479525]; PubChem [10667707];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1154	Ilex rotunda	Jiu Bi Ying	救必应

Ingredient ID: TCMC4482
Formula: C22H28O4

Common Name	Crocetin Dimethyl Ester
IUPAC Name	dimethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
Canonical SMILES	COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(=O)OC)C)C)/C)/C
Standard InCHI	InChI=1S/C22H28O4/c1-17(13-9-15-19(3)21(23)25-5)11-7-8-12-18(2)14-10-16-20(4)22(24)26-6/h7-16H,1-6H3/b8-7+,13-9+,14-10+,17-11+,18-12+,19-15+,20-16+
Standard InCHIKey	OXNHRKGZZFWUQZ-QORFUXSJSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5316132];
Reference of Component-Ingredient Pair	25829569

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1154	Ilex rotunda	Jiu Bi Ying	救必应

Ingredient ID: TCMC2120
Formula: C17H24O9

Common Name	Syringin
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
Canonical SMILES	OC/C=C/c1cc(OC)c(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1
Standard InCHIKey	QJVXKWHHAMZTBY-GCPOEHJPSA-N
External Identifiers	ChEMBL [CHEMBL250872]; PubChem [5316860];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1739	Ficus microcarpa	Rong Shu Ye	榕树叶
TCMH457	Euphorbia humifusa	Di Mian Cao	地绵草
TCMH924	Zanthoxylum bungeanum	Hua Jiao	花椒
TCMH1656	Angelica decursiva	Qian Hu	前胡
TCMH1154	Ilex rotunda	Jiu Bi Ying	救必应
TCMH2352	Saussurea involucrata	Xue Lian Hua	雪莲花
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH1740	Cistanche deserticola	Rou Cong Rong	肉苁蓉
TCMH2072	Rhodomyrtus tomentosa	Tao Jin Niang Gen	桃金娘根
TCMH1825	Litsea cubeba	Shan Jiang Zi	山姜子
TCMH526	Eucommia ulmoides	Du Zhong Ye	杜仲叶
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH1735	Kummerowia striata	Ren Zi Cao	人字草
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH1452	Gerbera piloselloides	Mao Da Ding Cao	毛大丁草
TCMH138	Syringa reticulata	Bao Ma Zi Pi	暴马子皮
TCMH500	Benincasa hispida	Dong Gua Zi	冬瓜子
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH936	Platycarya strobilacea	Hua Xiang Shu Guo Xu	化香树果序
TCMH160	Piper cubeba	Bi Cheng Qie	毕澄茄
TCMH906	Viscum coloratum	Hu Ji Sheng	槲寄生
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH668	Rhodomyrtus tomentosa	Gang Ren Zi	岗稔子
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH483	Kummerowia striata	Ding Kui Cao	丁葵草
TCMH1039	Kummerowia striata	Ji Yan Cao	鸡眼草
TCMH524	Eucommia ulmoides	Du Zhong	杜仲
TCMH525	Eucommia ulmoides	Du Zhong Tan	杜仲炭
TCMH498	Benincasa hispida	Dong Gua Pi	冬瓜皮
TCMH1738	Ficus microcarpa	Rong Shu Xu	榕树须
TCMH2098	Saussurea involucrata	Tian Shan Xue Lian Hua	天山雪莲花
TCMH2351	Saussurea involucrata	Xue Lian	雪莲
TCMH935	Platycarya strobilacea	Hua Xiang Shu Guo	化香树果
TCMH511	Litsea cubeba	Dou Chi Jiang	豆豉姜
TCMH1812	Litsea cubeba	Shan Cang Zi	山苍子
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
TCMH92	Gerbera piloselloides	Bai Mei	白眉
TCMH454	Euphorbia humifusa	Di Jin Cao	地锦草
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参

Ingredient ID: TCMC2027
Formula: C30H48O5

Common Name	Rotundic Acid
IUPAC Name	(1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	OC[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@](C)(O)[C@@H](CC1)C)C(=O)O)C)C
Standard InCHI	InChI=1S/C30H48O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-23,31-32,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,22+,23-,25+,26+,27-,28-,29-,30+/m1/s1
Standard InCHIKey	YLHQFGOOMKJFLP-LTFXOGOQSA-N
External Identifiers	ChEMBL [CHEMBL1271052]; PubChem [12315075];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1154	Ilex rotunda	Jiu Bi Ying	救必应
TCMH2020	Ilex chinensis	Si Ji Qing	四季青
TCMH504	Ilex chinensis	Dong Qing	冬青
TCMH505	Ilex chinensis	Dong Qing Ye	冬青叶
TCMH788	Ilex chinensis	Hai Nan Ye Sheng Dong Qing	海南野生冬青

Ingredient ID: TCMC1871
Formula: C6H6O

Common Name	Phenol
IUPAC Name	phenol
Canonical SMILES	Oc1ccccc1
Standard InCHI	InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
Standard InCHIKey	ISWSIDIOOBJBQZ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL14060]; PubChem [996];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH1063	Curcuma longa	Jiang Huang	姜黄
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH1154	Ilex rotunda	Jiu Bi Ying	救必应
TCMH120	Atractylodes macrocephala	Bai Zhu	白术
TCMH733	Desmodium styracifolium	Guang Jin Qian Cao	广金钱草
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH561	Senegalia catechu	Fang Er Cha	方儿茶
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH827	Terminalia chebula	He Zi Rou	诃子肉
TCMH308	Dipsacus asperoides	Chuan Xu Duan	川续断
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH428	Codonopsis pilosula	Dang Shen Qing Gao	党参清膏
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1432	Vitex trifolia	Man Jing Zi	蔓荆子
TCMH2374	Phellodendron amurense	Yan Guan Huang Bai	盐关黄柏
TCMH2129	Eupolyphaga sinensis	Tu Bie Chong	土鳖虫
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH1660	Senecio scandens	Qian Li Guang	千里光
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH1367	Apocynum venetum	Luo Bu Ma	罗布麻
TCMH2558	Rosa chinensis	Yue Ji Hua	月季花
TCMH906	Viscum coloratum	Hu Ji Sheng	槲寄生
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH1431	Vitex trifolia	Man Jing Ye	蔓荆叶
TCMH309	Curcuma longa	Chuan Yu Jin	川郁金
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
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏
TCMH210	Terminalia chebula	Cang Qing Guo	藏青果
TCMH826	Terminalia chebula	He Zi	诃子
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁

Ingredient ID: TCMC1179
Formula: C15H10O2

Common Name	Flavone
IUPAC Name	2-phenylchromen-4-one
Canonical SMILES	O=c1cc(oc2c1cccc2)c1ccccc1
Standard InCHI	InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
Standard InCHIKey	VHBFFQKBGNRLFZ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL275638]; PubChem [10680];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2104	Folium aconiti szechenyiani	Tie Bang Chui Ye	铁棒锤叶
TCMH1154	Ilex rotunda	Jiu Bi Ying	救必应
TCMH2303	Pericarpium citri reticulatae viride	Xiao Qing Pi	小青皮
TCMH733	Desmodium styracifolium	Guang Jin Qian Cao	广金钱草
TCMH1519	Oroxylum indicum	Mu Hu Die	木蝴蝶
TCMH2646	Rhizoma paridis	Chong Lou	重楼
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH2370	Commelina communis	Ya Zhi Cao	鸭跖草
TCMH1181	Chrysanthemum morifolium	Ju Hua	菊花
TCMH1784	Radix tetrastigmatis hemsleyani	San Ye Qing	三叶青
TCMH458	Pericarpium citri reticulatae viride	Di Qing Pi	地青皮
TCMH1695	Pericarpium citri reticulatae viride	Qing Pi	青皮
TCMH809	Chrysanthemum morifolium	Hang Ju	杭菊

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC1179	C15H10O2	Flavone	222.07	-0.5036	2.89	5.3	1	0	26.3	1	3	17	1
TCMC1871	C6H6O	Phenol	94.04	-0.4603	2.01	2.044	0	1	20.23	1	1	7	0
TCMC2027	C30H48O5	Rotundic Acid	488.35	-0.046	4.21	6.075	5	4	97.99	12	5	35	1
TCMC2120	C17H24O9	Syringin	372.14	-2.2917	2.34	-0.417	6	5	138.07	14	2	26	0
TCMC4482	C22H28O4	Crocetin Dimethyl Ester	356.1987594	5.0826	3.44	5.114	4	0	52.6	10	0	26	1
TCMC5461	C18H24O9	Sinapaldehyde Glucoside	384.1420323	-2.2036	2.45	-0.059	6	4	134.91	7	2	27	0
TCMC6133	C36H58O10	Pedunculoside	650.4029981	-1.9504	4.32	4.769	10	7	177.14	5	6	46	1

Download Data

All data can be downloaded by:

→ Selecting data type in the below download table
→ Then click the download button.

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: Ilex rotunda 救必应

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: TCMC6133

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5461

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4482

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2120

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2027

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1871

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1179

Occurrence of the ingredient across TCM components

Properties

Download Data