TCM-ID Component

Description of the Component

Component ID	TCMH523
Latin Name	Lamiophlomis rotata
English Name	Common lamiophlomis
Chinese Pinyin Name	Du Yi Wei
中文名	独一味
TCM Properties	Minor cold,Bitter
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity	Toxic
Geo-authentic habitats (道地产区)	Tibet
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	CPBOL1729-11
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx826	Du Yi Wei Capsule	独一味胶囊
TCMFx1200	Duyiwei Tablets	独一味片
TCMFx1459	Duyiwei Tablets	独一味片
TCMFx6354	Xiao Tong Tie Ointment	消痛贴膏

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
TCMT11	HIF1A	Hypoxia-inducible factor 1 alpha	Transcription factor	Q16665
TCMT164	PTGS1	Cyclooxygenase-1	Oxidoreductase	P23219
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT220	CYP2J2	Cytochrome P450 2J2	Oxidoreductase	P51589
TCMT30	PTGS2	Cyclooxygenase-2	Oxidoreductase	P35354
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT331	PLG	Plasminogen	Unclassified	P00747
TCMT42	KMT2A	Histone-lysine N-methyltransferase MLL	Transferase	Q03164
TCMT6	NFKB1	Nuclear factor NF-kappa-B p105 subunit	Transcription factor	P19838
TCMT99	SHBG	Testis-specific androgen-binding protein	Unclassified	P04278

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1099	Neuraminidase
TCMT1212	Verticillium dahliae
TCMT1246	Escherichia coli
TCMT1248	Hepatitis C virus
TCMT1465	Entamoeba histolytica

Ingredient Structrues

Ingredient ID: TCMC7040
Formula: C35H46O19

Common Name	6'-Β-D-Apiofuranosylcistanoside C
IUPAC Name	[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Canonical SMILES	COc1cc(CCO[C@@H]2O[C@H](CO[C@@H]3OC[C@]([C@H]3O)(O)CO)[C@H]([C@@H]([C@H]2O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)ccc1O
Standard InCHI	InChI=1S/C35H46O19/c1-16-25(41)26(42)27(43)33(51-16)54-30-28(44)32(48-10-9-18-4-7-20(38)22(12-18)47-2)52-23(13-49-34-31(45)35(46,14-36)15-50-34)29(30)53-24(40)8-5-17-3-6-19(37)21(39)11-17/h3-8,11-12,16,23,25-34,36-39,41-46H,9-10,13-15H2,1-2H3/b8-5+/t16-,23+,25-,26+,27+,28+,29+,30+,31-,32+,33-,34+,35+/m0/s1
Standard InCHIKey	RXDDCGCFNNKGCJ-WJNRCRFESA-N
External Identifiers	ChEMBL [N/A]; PubChem [100983067];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH523	Lamiophlomis rotata	Du Yi Wei	独一味

Ingredient ID: TCMC6865
Formula: C17H24O11

Common Name	7,8-Dehydropenstemoside
IUPAC Name	methyl (1S,4aR,5R,7aR)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
Canonical SMILES	COC(=C1C=[O][C@H]([C@H]2[C@]1(O)[C@H](O)C=C2C)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)[O-]
Standard InCHI	InChI=1S/C17H25O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h3,5,8-13,15-16,18-24H,4H2,1-2H3/p-1/t8-,9-,10+,11-,12+,13-,15+,16+,17-/m1/s1
Standard InCHIKey	HTBOUOJGMJRMQM-BKDJBYHXSA-M
External Identifiers	ChEMBL [CHEMBL2048532]; PubChem [70684135];
Reference of Component-Ingredient Pair	11498871

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH523	Lamiophlomis rotata	Du Yi Wei	独一味

Ingredient ID: TCMC4688
Formula: C11H14O6

Common Name	Lamiophlomiol A
IUPAC Name	methyl (1S,2R,4S,5S,6S,10R)-5,10-dihydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
Canonical SMILES	COC(=C1C=[O][C@H]([C@H]2[C@@H]1[C@H](O)[C@H]1[C@@]2(O1)C)O)[O-]
Standard InCHI	InChI=1S/C11H15O6/c1-11-6-5(7(12)8(11)17-11)4(9(13)15-2)3-16-10(6)14/h3,5-8,10,12-14H,1-2H3/p-1/t5-,6-,7+,8+,10-,11-/m1/s1
Standard InCHIKey	NIEASJDQDSYXSG-YZDIHIQWSA-M
External Identifiers	ChEMBL [N/A]; PubChem [5318924];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH523	Lamiophlomis rotata	Du Yi Wei	独一味

Ingredient ID: TCMC4383
Formula: C27H30O14

Common Name	Apigenin-7-O-Neohesperidoside
IUPAC Name	7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
Standard InCHIKey	RPMNUQRUHXIGHK-PYXJVEIZSA-N
External Identifiers	ChEMBL [CHEMBL395990]; PubChem [5282150];
Reference of Component-Ingredient Pair	28334636

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH523	Lamiophlomis rotata	Du Yi Wei	独一味
TCMH1376	Trachelospermum jasminoides	Luo Shi Teng	络石藤
TCMH925	Exocarpium citri grandis	Hua Ju Hong	化橘红
TCMH2630	Citrus aurantium	Zhi Shi	枳实

Ingredient ID: TCMC2681
Formula: C17H26O10

Common Name	Loganin
IUPAC Name	methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@H](C)[C@H](C3)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1
Standard InCHIKey	AMBQHHVBBHTQBF-UOUCRYGSSA-N
External Identifiers	ChEMBL [CHEMBL1081584]; PubChem [87691];
Reference of Component-Ingredient Pair	22422345

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸
TCMH1673	Gentiana macrophylla	Qin Jiao	秦艽
TCMH2622	Strychnos nux-vomica	Zhi Ma Qian Zi	炙马钱子
TCMH523	Lamiophlomis rotata	Du Yi Wei	独一味
TCMH281	Dipsacus asper	Chuan Duan	川断
TCMH1674	Gentiana straminea	Qin Jiao Hua	秦艽花
TCMH308	Dipsacus asperoides	Chuan Xu Duan	川续断
TCMH526	Eucommia ulmoides	Du Zhong Ye	杜仲叶
TCMH76	Thlaspi arvense	Bai Jiang Cao	败酱草
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH1175	Cornus officinalis	Jiu Yu Rou	酒萸肉
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
TCMH1405	Strychnos nux-vomica	Ma Qian Zi	马钱子
TCMH1406	Strychnos nux-vomica	Ma Qian Zi Fen	马钱子粉

Ingredient ID: TCMC2447
Formula: C17H26O11

Common Name	Shanzhiside Methyl Ester
IUPAC Name	methyl (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@](C)(O)C[C@H]3O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12+,13-,15+,16+,17+/m1/s1
Standard InCHIKey	KKSYAZCUYVRKML-IRDZEPHTSA-N
External Identifiers	ChEMBL [CHEMBL1081414]; PubChem [13892722];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH523	Lamiophlomis rotata	Du Yi Wei	独一味
TCMH2642	Gardenia jasminoides	Zhi Zi Jin Gao	栀子浸膏
TCMH1856	Gardenia jasminoides	Shan Zhi	山栀
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子

Ingredient ID: TCMC1340
Formula: C21H30O5

Common Name	Hydrocortisone
IUPAC Name	(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Canonical SMILES	OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
Standard InCHI	InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
Standard InCHIKey	JYGXADMDTFJGBT-VWUMJDOOSA-N
External Identifiers	ChEMBL [CHEMBL389621]; PubChem [5754];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2367	Linum usitatissimum	Ya Ma Zi	亚麻子
TCMH523	Lamiophlomis rotata	Du Yi Wei	独一味
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1984	Typhonium flagelliforme	Shui Ban Xia	水半夏
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白

Ingredient ID: TCMC1206
Formula: C21H20O11

Common Name	Galuteolin
IUPAC Name	2-(3,4-dihydroxyphenyl)-5-hydroxy-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](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
Standard InCHIKey	PEFNSGRTCBGNAN-QNDFHXLGSA-N
External Identifiers	ChEMBL [CHEMBL233929]; PubChem [5280637];
Reference of Component-Ingredient Pair	22885972

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH457	Euphorbia humifusa	Di Mian Cao	地绵草
TCMH888	Pithecellobium clypearia	Hou Er Huan Jin Gao	猴耳环浸膏
TCMH1753	Boswellia carterii	Ru Xiang	乳香
TCMH2372	Bergenia purpurascens	Yan Bai Cai	岩白菜
TCMH2012	Lycopus lucidus	Shui Ze Lan	水泽兰
TCMH313	Sedum sarmentosum	Chui Pen Cao Qing Gao	垂盆草清膏
TCMH2352	Saussurea involucrata	Xue Lian Hua	雪莲花
TCMH1333	Clerodendron cyrtophyllum	Lu Bian Qing	路边青
TCMH523	Lamiophlomis rotata	Du Yi Wei	独一味
TCMH1633	Taraxacum mongolicum	Pu Gong Ying Jin Gao	蒲公英浸膏
TCMH2253	Agrimonia pilosa var. japonica	Xian He Cao Jin Gao Fen	仙鹤草浸膏粉
TCMH2306	Buxus microphylla	Xiao Ye Huang Yang	小叶黄杨
TCMH274	Fritillaria cirrhosa	Chuan Bei Mu Liu Jin Gao	川贝母流浸膏
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
TCMH1380	Humulus japonicus	Lv Cao	葎草
TCMH1141	Schizonepeta tenuifolia	Jing Jie	荆芥
TCMH1096	Inula japonica	Jin Fei Cao	金沸草
TCMH800	Herba ecliptae prostratae	Han Lian Cao	旱莲草
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH614	Lemna minor	Fu Ping	浮萍
TCMH1597	Ligustrum lucidum	Nv Zhen Zi	女贞子
TCMH2360	Brucea javanica	Ya Dan Zi	鸦胆子
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH2192	Prunus mume	Wu Mei Rou	乌梅肉
TCMH1125	Herba chrysosplenii	Jin Yao Cao	金腰草
TCMH589	Pteris multifida	Feng Wei Cao	凤尾草
TCMH1396	Portulaca oleracea	Ma Chi Xian	马齿苋
TCMH1828	Ixeris chinensis	Shan Ku Mai	山苦荬
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH2452	Chrysanthemum indicum	Ye Ju Hua	野菊花
TCMH1503	Eclipta prostrata	Mo Han Lian	墨旱莲
TCMH1376	Trachelospermum jasminoides	Luo Shi Teng	络石藤
TCMH1181	Chrysanthemum morifolium	Ju Hua	菊花
TCMH936	Platycarya strobilacea	Hua Xiang Shu Guo Xu	化香树果序
TCMH132	Scutellaria barbata	Ban Zhi Lian	半枝莲
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH2213	Ipomoea cairica	Wu Zhao Long	五爪龙
TCMH273	Fritillaria cirrhosa	Chuan Bei Mu	川贝母
TCMH312	Sedum sarmentosum	Chui Pen Cao	垂盆草
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH2252	Agrimonia pilosa var. japonica	Xian He Cao	仙鹤草
TCMH2098	Saussurea involucrata	Tian Shan Xue Lian Hua	天山雪莲花
TCMH2351	Saussurea involucrata	Xue Lian	雪莲
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
TCMH93	Prunus mume	Bai Mei Hua	白梅花
TCMH2191	Prunus mume	Wu Mei	乌梅
TCMH809	Chrysanthemum morifolium	Hang Ju	杭菊
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
TCMH454	Euphorbia humifusa	Di Jin Cao	地锦草
TCMH886	Pithecellobium clypearia	Hou Er Huan	猴耳环
TCMH887	Pithecellobium clypearia	Hou Er Huan Gan Jin Gao	猴耳环干浸膏
TCMH1856	Gardenia jasminoides	Shan Zhi	山栀
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC1206	C21H20O11	Galuteolin	448.1	-4.0917	2.56	-0.075	6	7	186.37	11	4	32	1
TCMC1340	C21H30O5	Hydrocortisone	362.21	-1.1216	3.22	0.553	5	3	94.83	7	4	26	0
TCMC2447	C17H26O11	Shanzhiside Methyl Ester	406.15	-3.3679	2.12	-2.002	11	6	175.37	13	3	28	2
TCMC2681	C17H26O10	Loganin	390.15	-2.9288	2.23	-1.092	10	5	155.14	12	3	27	0
TCMC4383	C27H30O14	Apigenin-7-O-Neohesperidoside	578.1635556	-4.6859	2.89	-0.792	13	8	215.83	6	5	41	2
TCMC4688	C11H14O6	Lamiophlomiol A	242.0790382	-1.9626	2.01	-0.709	6	2	85.28	1	3	17	0
TCMC6865	C17H24O11	7,8-Dehydropenstemoside	404.1318616	-3.4563	2.12	-1.473	11	6	172.13	4	3	28	2
TCMC7040	C35H46O19	6'-Β-D-Apiofuranosylcistanoside C	770.2633293	-5.298	3.22	-1.02	15	10	293.21	15	5	54	3

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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: Lamiophlomis rotata 独一味

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: TCMC7040

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6865

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4688

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4383

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2681

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2447

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1340

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1206

Occurrence of the ingredient across TCM components

Properties

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