TCM-ID Component

Description of the Component

Component ID	TCMH276
Latin Name	Dioscorea septemloba
English Name	Sichuan castor seed
Chinese Pinyin Name	Chuan Bi Xie
中文名	川萆薢
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	GBVU113-13, GBVT4965-13
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT162	UGT1A1	UDP-glucuronosyltransferase 1-1	Transferase	P22309
TCMT277	SLCO1B3	Solute carrier organic anion transporter family member 1B3	Transporter	Q9NPD5
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
TCMT1176	Streptococcus pneumoniae
TCMT1221	Human herpesvirus 4
TCMT1243	Aspergillus flavus
TCMT1251	Candida albicans
TCMT1458	Filobasidiella neoformans

Ingredient Structrues

Ingredient ID: TCMC791
Formula: C40H56

Common Name	Beta Carotene
IUPAC Name	1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
Canonical SMILES	C/C(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C
Standard InCHI	InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
Standard InCHIKey	OENHQHLEOONYIE-JLTXGRSLSA-N
External Identifiers	ChEMBL [CHEMBL1293]; PubChem [5280489];
Reference of Component-Ingredient Pair	21569430

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH945	Sophora japonica	Huai Zhi	槐枝
TCMH2563	Polysaccharidum versicolor	Yun Zhi	云芝
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH2201	Securidaca inappendiculata	Wu Wei Teng	五味藤
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH276	Dioscorea septemloba	Chuan Bi Xie	川萆薢
TCMH1796	Morus alba	Sang Shen Qing Gao	桑葚清膏
TCMH1538	Baphicacanthus cusia	Nan Ban Lan Gen Jin Gao Fen	南板蓝根浸膏粉
TCMH1146	Oryza sativa	Jing Mi	粳米
TCMH2222	Citrullus lanatus	Xi Gua Cui Yi	西瓜翠衣
TCMH561	Senegalia catechu	Fang Er Cha	方儿茶
TCMH2375	Trigonella foenum-graecum	Yan Hu Lu Ba	盐胡芦巴
TCMH1536	Carica papaya	Mu Zhao	木爪
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH910	Tadehagi triquetrum	Hu Lu Cha	葫芦茶
TCMH226	Camellia sinensis	Cha Ye	茶叶
TCMH387	Callicarpa macrophylla	Da Ye Zi Zhu	大叶紫珠
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH2226	Stigma croci	Xi Hong Hua	西红花
TCMH773	Zostera marina	Hai Dai	海带
TCMH243	Pericarpium citri reticulatae	Chen Pi	陈皮
TCMH1446	Vaccinium oxycoccos	Man Yue Mei	蔓越莓
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH2232	Scutellaria amoena	Xi Nan Huang Qin	西南黄芩
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH1381	Folium camelliae sinensis	Lv Cha	绿茶
TCMH1396	Portulaca oleracea	Ma Chi Xian	马齿苋
TCMH1232	Capsicum frutescens	La Jiao Liu Jin Gao	辣椒流浸膏
TCMH2356	Daemonorops draco	Xue Xie	血蝎
TCMH202	Bombyx mori	Can Yong	蚕蛹
TCMH1448	Mangifera indica	Mang Guo Ye	芒果叶
TCMH1511	Momordica cochinchinensis	Mu Bie Zi	木鳖子
TCMH1667	Fagopyrum esculentum	Qiao Mai	荞麦
TCMH617	Poria	Fu Shen	茯神
TCMH2471	Emilia sonchifolia	Yi Dian Hong	一点红
TCMH1305	Laggera alata	Liu Ling Ju	六棱菊
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	紫苏叶
TCMH395	Mytilus edulis	Dan Cai	淡菜
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH1185	Lycium chinense	Gou Qi	枸杞
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH938	Sophora japonica	Huai Hua	槐花
TCMH940	Sophora japonica	Huai Jiao	槐角
TCMH941	Sophora japonica	Huai Mi	槐米
TCMH75	Bombyx mori	Bai Jiang Can	白僵蚕
TCMH197	Bombyx mori	Can E	蚕蛾
TCMH200	Bombyx mori	Can Jian	蚕茧
TCMH201	Bombyx mori	Can Sha	蚕砂
TCMH1228	Capsicum frutescens	La Jiao	辣椒
TCMH1230	Capsicum frutescens	La Jiao Jin Chu Ye	辣椒浸出液
TCMH1231	Capsicum frutescens	La Jiao Jin Gao	辣椒浸膏
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH1537	Baphicacanthus cusia	Nan Ban Lan Gen	南板蓝根
TCMH1794	Morus alba	Sang Shen	桑葚
TCMH1795	Morus alba	Sang Shen Jin Gao	桑葚浸膏
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏
TCMH51	Camellia sinensis	Bai Cha	白茶
TCMH2721	Perilla frutescens var. arguta	Zi Su Geng	紫苏梗

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: TCMC1072
Formula: C27H42O3

Common Name	Disogenin
IUPAC Name	n.a.
Canonical SMILES	C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C
Standard InCHI	InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
Standard InCHIKey	WQLVFSAGQJTQCK-VKROHFNGSA-N
External Identifiers	ChEMBL [CHEMBL412437]; PubChem [99474];
Reference of Component-Ingredient Pair	22575181

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2134	Smilax glabra	Tu Fu Ling	土茯苓
TCMH276	Dioscorea septemloba	Chuan Bi Xie	川萆薢
TCMH1538	Baphicacanthus cusia	Nan Ban Lan Gen Jin Gao Fen	南板蓝根浸膏粉
TCMH285	Dioscorea nipponica	Chuan Long Shu Yu	穿龙薯蓣
TCMH2375	Trigonella foenum-graecum	Yan Hu Lu Ba	盐胡芦巴
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH2090	Gastrodia elata	Tian Ma	天麻
TCMH37	Smilax china	Ba Qia	菝葜
TCMH2023	Chloranthus holostegius	Si Kuai Wa	四块瓦
TCMH2624	Anemarrhena asphodeloides	Zhi Mu	知母
TCMH943	Rhizoma dioscoreae	Huai Shan Yao	淮山药
TCMH2668	Anemone raddeana	Zhu Jie Xiang Fu	竹节香附
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1537	Baphicacanthus cusia	Nan Ban Lan Gen	南板蓝根

Ingredient ID: TCMC1063
Formula: C45H72O16

Common Name	Dioscin
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[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1
Standard InCHIKey	VNONINPVFQTJOC-ZGXDEBHDSA-N
External Identifiers	ChEMBL [CHEMBL507001]; PubChem [119245];
Reference of Component-Ingredient Pair	29389802

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2134	Smilax glabra	Tu Fu Ling	土茯苓
TCMH276	Dioscorea septemloba	Chuan Bi Xie	川萆薢
TCMH1538	Baphicacanthus cusia	Nan Ban Lan Gen Jin Gao Fen	南板蓝根浸膏粉
TCMH285	Dioscorea nipponica	Chuan Long Shu Yu	穿龙薯蓣
TCMH2375	Trigonella foenum-graecum	Yan Hu Lu Ba	盐胡芦巴
TCMH2646	Rhizoma paridis	Chong Lou	重楼
TCMH37	Smilax china	Ba Qia	菝葜
TCMH2092	Asparagus cochinchinensis	Tian Men Dong	天门冬
TCMH1759	Asparagus cochinchinensis	San Bai Bang	三百棒
TCMH2084	Asparagus cochinchinensis	Tian Dong	天冬
TCMH1537	Baphicacanthus cusia	Nan Ban Lan Gen	南板蓝根

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
TCMC791	C40H56	Beta Carotene	536.44	8.935	5.86	14.734	0	0	0	20	2	40	1
TCMC1015	C11H10N2O	Deoxyvasicinone	186.08	-0.8417	2.34	1.937	3	0	32.67	0	3	14	0
TCMC1063	C45H72O16	Dioscin	868.48	-3.9636	4.65	2.836	16	8	235.68	21	9	61	2
TCMC1072	C27H42O3	Disogenin	414.31	0.2771	4.1	6.041	3	1	38.69	5	6	30	1
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.)

Component: Dioscorea septemloba 川萆薢

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: TCMC791

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1073

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1072

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1063

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1015

Occurrence of the ingredient across TCM components

Properties

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