TCM-ID Component

Component: Dioscorea zingiberensis 盾叶薯蓣根茎

Description of the Component

Component ID	TCMH535
Latin Name	Dioscorea zingiberensis
English Name	tuberous root vegetable
Chinese Pinyin Name	Dun Ye Shu Yu Gen Jing
中文名	盾叶薯蓣根茎
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	GBVU086-13, GBVT4938-13
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx3830	Dun Ye Guan Xin Ning Tablets	盾叶冠心宁片

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT273	NR1H4	Bile acid receptor FXR	Nuclear receptor	Q96RI1
TCMT3	ALOX15	Arachidonate 15-lipoxygenase	Oxidoreductase	P16050
TCMT318	HKDC1	Putative hexokinase HKDC1	Transferase	Q2TB90
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name

Ingredient Structrues

Ingredient ID: TCMC1073
Formula: C33H52O8

Common Name	Disogluside
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1
Standard InCHIKey	WXMARHKAXWRNDM-GAMIEDRGSA-N
External Identifiers	ChEMBL [CHEMBL395414]; PubChem [11827970];
Reference of Component-Ingredient Pair	22805852

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH276	Dioscorea septemloba	Chuan Bi Xie	川萆薢
TCMH285	Dioscorea nipponica	Chuan Long Shu Yu	穿龙薯蓣
TCMH535	Dioscorea zingiberensis	Dun Ye Shu Yu Gen Jing	盾叶薯蓣根茎

Ingredient ID: TCMC1015
Formula: C11H10N2O

Common Name	Deoxyvasicinone
IUPAC Name	2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
Canonical SMILES	O=c1c2ccccc2nc2n1CCC2
Standard InCHI	InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2
Standard InCHIKey	VARHXCYGZKSOOO-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL456881]; PubChem [68261];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1213	Dioscorea parviflora	Ku Liang Jiang	苦良姜
TCMH1167	Dioscorea hypoglauca	Jiu Niu Li	九牛力
TCMH276	Dioscorea septemloba	Chuan Bi Xie	川萆薢
TCMH285	Dioscorea nipponica	Chuan Long Shu Yu	穿龙薯蓣
TCMH535	Dioscorea zingiberensis	Dun Ye Shu Yu Gen Jing	盾叶薯蓣根茎
TCMH721	Rhizoma dioscoreae nipponicae	Guang Di Long	广地龙
TCMH1512	Isatis indigotica	Mu Da Qing Ye	木大青叶
TCMH294	Rhizoma dioscoreae nipponicae	Chuan Shan Long	穿山龙
TCMH456	Rhizoma dioscoreae nipponicae	Di Long	地龙
TCMH126	Isatis indigotica	Ban Lan	板蓝
TCMH127	Isatis indigotica	Ban Lan Gen	板蓝根
TCMH381	Isatis indigotica	Da Qing Ye	大青叶
TCMH1510	Isatis indigotica	Mu Ban Lan Gen	木板蓝根
TCMH170	Dioscorea hypoglauca	Bi Xie	萆薢

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC1015	C11H10N2O	Deoxyvasicinone	186.08	-0.8417	2.34	1.937	3	0	32.67	0	3	14	0
TCMC1073	C33H52O8	Disogluside	576.37	-1.4698	4.21	4.933	8	4	117.84	11	7	41	0

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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.)