TCM-ID Component

Component: Vladimiria souliei 川木香

Description of the Component

Component ID	TCMH288
Latin Name	Vladimiria souliei
English Name	Common vladimiria
Chinese Pinyin Name	Chuan Mu Xiang
中文名	川木香
TCM Properties
TCM Meridians
Therapeutic Class English	Regulation of qi
Therapeutic Class Chinese	理气
Functions	promote the flow of qi and relieve pain
Toxicity	NA
Geo-authentic habitats (道地产区)	Sichuan Province,Chongqing
Reference	Chinese Pharmacopoeia (2015)
Barcode ID
Barcode Source

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMF6024	Chang Chun Yao Wine	长春药酒
TCMFx3227	Chen Xiang Lu Bai Lu Tablets	陈香露白露片
TCMFx4761	Jia Wei Lan Ji Pills	加味烂积丸
TCMFx4905	Jian Qu	建曲
TCMFx5	Jiu Xiang Zhi Tong Pills	九香止痛丸
TCMFx4801	Qi Xiang Zhi Tong Pills	七香止痛丸
TCMF5164	San She Yao Wine	三蛇药酒
TCMF5107	She Xiang Gou Pi Ointment	麝香狗皮膏

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT82	ESR1	Estrogen receptor alpha	Nuclear receptor	P03372

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1218	Staphylococcus aureus
TCMT1463	Mycobacterium tuberculosis

Ingredient Structrues

Ingredient ID: TCMC6980
Formula: C20H24O8

Common Name	Massoniresinol
IUPAC Name	(2R,3S,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolane-3,4-diol
Canonical SMILES	COc1cc(ccc1O)C[C@@]1(O)CO[C@@H]([C@@]1(O)CO)c1ccc(c(c1)OC)O
Standard InCHI	InChI=1S/C20H24O8/c1-26-16-7-12(3-5-14(16)22)9-19(24)11-28-18(20(19,25)10-21)13-4-6-15(23)17(8-13)27-2/h3-8,18,21-25H,9-11H2,1-2H3/t18-,19-,20+/m1/s1
Standard InCHIKey	ZTWZAVCISGQPJH-AQNXPRMDSA-N
External Identifiers	ChEMBL [N/A]; PubChem [91885243];
Reference of Component-Ingredient Pair	8448819

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH288	Vladimiria souliei	Chuan Mu Xiang	川木香

Ingredient ID: TCMC568
Formula: C15H20O2

Common Name	6,10-Dimethyl-3-Methylidene-3A,4,5,8,9,11A-Hexahydrocyclodeca[B]Furan-2-One
IUPAC Name	6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
Canonical SMILES	CC1=CC2OC(=O)C(=C)C2CCC(=CCC1)C
Standard InCHI	InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3
Standard InCHIKey	HRYLQFBHBWLLLL-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL3193163]; PubChem [556919];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2144	Inula helenium	Tu Mu Xiang	土木香
TCMH288	Vladimiria souliei	Chuan Mu Xiang	川木香

Ingredient ID: TCMC2439
Formula: C15H18O2

Common Name	Dehydrocostuslactone
IUPAC Name	(3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Canonical SMILES	C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@H]1[C@@H]2C(=C)CC1
Standard InCHI	InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1
Standard InCHIKey	NETSQGRTUNRXEO-XUXIUFHCSA-N
External Identifiers	ChEMBL [CHEMBL88985]; PubChem [73174];
Reference of Component-Ingredient Pair	21624443

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH1508	Commiphora myrrha	Mo Yao	没药
TCMH2538	Zea mays	Yu Mi Xu	玉米须
TCMH288	Vladimiria souliei	Chuan Mu Xiang	川木香
TCMH736	Radix aucklandiae	Guang Mu Xiang	广木香
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH1507	Commiphora myrrha	Mo Xiang	没香

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC568	C15H20O2	6,10-Dimethyl-3-Methylidene-3A,4,5,8,9,11A-Hexahydrocyclodeca[B]Furan-2-One	232.15	2.5287	2.89	3.308	2	0	26.3	2	2	17	0
TCMC2439	C15H18O2	Dehydrocostuslactone	230.13	1.6555	2.89	2.451	2	0	26.3	0	3	17	0
TCMC6980	C20H24O8	Massoniresinol	392.1471177	-2.835	2.78	0.734	4	5	128.84	6	3	28	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.)