TCM-ID Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMF6829	Zhi Dai Tablets	治带片
TCMFx3197	Fu Fang Bai Dai Pills	复方白带丸

Targeted Human Proteins by the Ingredient of Component

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Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT334	EBP	3-beta-hydroxysteroid-delta(8),delta(7)-isomerase	Isomerase	Q15125

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Targeted Pathogenic Microbes by the Ingredient of Component

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Target ID	Target Name
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Ingredient Structrues

Ingredient ID: TCMC1426
Formula: C27H39NO3

Common Name	Jervine
IUPAC Name	(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
Canonical SMILES	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2C(=O)C2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C
Standard InCHI	InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1
Standard InCHIKey	CLEXYFLHGFJONT-DNMILWOZSA-N
External Identifiers	ChEMBL [CHEMBL186779]; PubChem [10098];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

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Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1260	Veratrum nigrum	Li Lu	藜芦
TCMH1532	Patrinia rupestris	Mu Tou Hui	墓头回
TCMH486	Syzygium aromaticum	Ding Xiang	丁香
TCMH685	Syzygium aromaticum	Gong Ding Xiang	公丁香

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Properties

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Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC1426	C27H39NO3	Jervine	425.29	-0.0124	3.99	1.88	4	2	58.56	5	6	31	0

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Download Data

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Component ID	TCMH1532
Latin Name	Patrinia rupestris
English Name	Diversifolious patrinia root
Chinese Pinyin Name	Mu Tou Hui
中文名	墓头回
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity	NA
Geo-authentic habitats (道地产区)	NA
Reference	CFDA
Barcode ID	GBVF2379-11
Barcode Source	BOLDSYSTEMS

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: Patrinia rupestris 墓头回

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

Properties

Download Data