TCM-ID Component

Description of the Component

Component ID	TCMH1220
Latin Name	Picria felterrae
English Name	Common bitterfigwort
Chinese Pinyin Name	Ku Xuan Shen
中文名	苦玄参
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
Barcode Source

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx7174	Fu Yan Jing Tablets	妇炎净片
TCMFx5377	Wan Tong Yan Kang Tablets	万通炎康片
TCMFx183	Wan Tong Yan Kang Tablet	万通炎康片
TCMF6376	Xiao Yan Ling Tablets	消炎灵片
TCMFx6659	Yan Jian Ning Tablets	炎见宁片

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT601	F2	Thrombin	Unclassified	P00734
TCMT61	MCL1	Induced myeloid leukemia cell differentiation protein Mcl-1	Unclassified	Q07820
TCMT718	TXN2	Thioredoxin, mitochondrial	Unclassified	Q99757
TCMT719	TXN	Thioredoxin	Unclassified	P10599

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name

Ingredient Structrues

Ingredient ID: TCMC6495
Formula: C42H64O14

Common Name	Picfeltarraenin Ib
IUPAC Name	(2S)-2-[(3R,8S,9R,10R,13R,14S,16R,17R)-3-[(2R,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-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-5-propan-2-ylfuran-3-one
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)C[C@H]([C@@H]3[C@]3(C)[O]=C(C=C3[O-])C(C)C)O)C)C2(C)C)[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/C42H65O14/c1-18(2)23-14-26(45)42(9,56-23)35-22(44)15-39(6)25-12-10-20-21(41(25,8)27(46)16-40(35,39)7)11-13-28(38(20,4)5)54-37-34(32(50)30(48)24(17-43)53-37)55-36-33(51)31(49)29(47)19(3)52-36/h10,14,18-19,21-22,24-25,28-37,43-45,47-51H,11-13,15-17H2,1-9H3/p-1/t19-,21+,22+,24+,25-,28+,29-,30+,31+,32-,33+,34+,35-,36-,37-,39-,40+,41-,42+/m0/s1
Standard InCHIKey	AMWQLSLYFNAROM-PGJHNFKZSA-M
External Identifiers	ChEMBL [CHEMBL503653]; PubChem [21635747];
Reference of Component-Ingredient Pair	16864449

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1220	Picria felterrae	Ku Xuan Shen	苦玄参

Ingredient ID: TCMC6494
Formula: C41H62O13

Common Name	Picfeltarraenin Ia
IUPAC Name	(2S)-2-[(3R,8S,9R,10R,13R,14S,16R,17R)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-5-propan-2-ylfuran-3-one
Canonical SMILES	O[C@H]1[C@H](O)CO[C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O[C@@H]1CC[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@]2(C)[O]=C(C=C2[O-])C(C)C)O)C)C1(C)C
Standard InCHI	InChI=1S/C41H63O13/c1-18(2)24-14-26(44)41(9,54-24)34-22(42)15-38(6)25-12-10-20-21(40(25,8)27(45)16-39(34,38)7)11-13-28(37(20,4)5)52-36-33(30(47)23(43)17-50-36)53-35-32(49)31(48)29(46)19(3)51-35/h10,14,18-19,21-23,25,28-36,42-44,46-49H,11-13,15-17H2,1-9H3/p-1/t19-,21+,22+,23+,25-,28+,29-,30-,31+,32+,33+,34-,35-,36-,38-,39+,40-,41+/m0/s1
Standard InCHIKey	ICXHXWRXWWNIHA-ZRJNTGDHSA-M
External Identifiers	ChEMBL [CHEMBL454694]; PubChem [21635746];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1220	Picria felterrae	Ku Xuan Shen	苦玄参

Ingredient ID: TCMC365
Formula: C9H8O4

Common Name	2-Carboxybenzeneacetic Acid
IUPAC Name	2-(carboxymethyl)benzoic acid
Canonical SMILES	OC(=O)Cc1ccccc1C(=O)O
Standard InCHI	InChI=1S/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
Standard InCHIKey	ZHQLTKAVLJKSKR-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1229545]; PubChem [66643];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1220	Picria felterrae	Ku Xuan Shen	苦玄参
TCMH2079	Garcinia morella	Teng Huang	藤黄

Ingredient ID: TCMC1207
Formula: C38H44O8

Common Name	Gambogic Acid
IUPAC Name	n.a.
Canonical SMILES	CC(=CCc1c2O[C@]34[C@@]5(C/C=C(C(=O)O)/C)OC([C@@H]4C[C@H](C5=O)C=C3C(=O)c2c(c2c1O[C@](C)(CCC=C(C)C)C=C2)O)(C)C)C
Standard InCHI	InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27+,36-,37+,38-/m1/s1
Standard InCHIKey	GEZHEQNLKAOMCA-RRZNCOCZSA-N
External Identifiers	ChEMBL [CHEMBL555017]; PubChem [9852185];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1220	Picria felterrae	Ku Xuan Shen	苦玄参
TCMH2079	Garcinia morella	Teng Huang	藤黄
TCMH1315	Salix babylonica	Liu Zhi	柳枝
TCMH1503	Eclipta prostrata	Mo Han Lian	墨旱莲

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC365	C9H8O4	2-Carboxybenzeneacetic Acid	180.04	-0.4448	2.01	1.895	4	2	74.6	5	1	13	0
TCMC1207	C38H44O8	Gambogic Acid	628.3	3.7619	4.76	4.241	5	2	119.36	18	4	46	0
TCMC6494	C41H62O13	Picfeltarraenin Ia	762.419042	-2.1656	4.54	1.465	13	6	198.43	6	7	54	2
TCMC6495	C42H64O14	Picfeltarraenin Ib	792.4296067	-2.6763	4.54	1.222	14	7	218.66	7	7	56	2

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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: Picria felterrae 苦玄参

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: TCMC6495

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6494

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC365

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1207

Occurrence of the ingredient across TCM components

Properties

Download Data