TCM-ID Component

Description of the Component

Component ID	TCMH294
Latin Name	Rhizoma dioscoreae nipponicae
English Name	Ningpo yam rhizome
Chinese Pinyin Name	Chuan Shan Long
中文名	ç©¿å±±é¾™
TCM Properties	Minor cold,Bitter
TCM Meridians	Lung,Liver
Therapeutic Class English	For dispelling wind-dampness
Therapeutic Class Chinese	ç¥›é£Žæ¹¿
Functions	promote blood circulation and dredge the channels, expel wind and dampness, eliminate phlegm, and relieve cough and dyspnea, clear toxic materials and relieve swelling
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
TCMFx3725	Bi Tong Ding	ç—¹ç—›é…Š
TCMFx878	Chuan Long Gu Ci Tablet	ç©¿é¾™éª¨åˆºç‰‡
TCMFx3428	Chuan Long Gu Ci Tablets	ç©¿é¾™éª¨åˆºç‰‡
TCMFx3435	Chuan Shan Long Zhu She Oral Liquid	ç©¿å±±é¾™æ³¨å°„æ¶²
TCMFx3449	Die Da Zhi Tong Powder	è·Œæ‰“æ¢ç—›æ•£
TCMF3399	Feng Shi Guan Jie Wine	é£Žæ¹¿å…³èŠ‚é…’
TCMF3487	Feng Shi Sheng Yao Capsules	é£Žæ¹¿åœ£è¯èƒ¶å›Š
TCMFx3556	Feng Shi Zhi Tong Yao Wine	é£Žæ¹¿æ¢ç—›è¯é…’
TCMFx3417	Gu Ci Pills	éª¨åˆºä¸¸
TCMFx3425	Gu Ci Xiao Tong Capsules	éª¨åˆºæ¶ˆç—›èƒ¶å›Š
TCMFx748	Gu Ci Xiao Tong Tablet	éª¨åˆºæ¶ˆç—›ç‰‡
TCMFx3433	Gu Ci Xiao Tong Tablets	éª¨åˆºæ¶ˆç—›ç‰‡
TCMFx7018	Gu Ge Feng Tong Tablets	éª¨éª¼é£Žç—›ç‰‡
TCMFx3490	Gu Long Capsules	éª¨é¾™èƒ¶å›Š
TCMF4818	Jia Wei Tian Me Capsules	åŠ å‘³å¤©éº»èƒ¶å›Š
TCMFx4648	Jie Gu Xu Jin Tablets	æŽ¥éª¨ç»ç‹ç‰‡
TCMF4284	Jin Gu Ning Cha Ji	ç‹éª¨å®æ½å‰‚
TCMFx578	Kang Shuan Zai Zao Pills	æŠ—æ “å†é€ ä¸¸
TCMFx4215	Kang Shuan Zai Zao Pills	æŠ—æ “å†é€ ä¸¸
TCMFx5502	Ren Shen Tian Ma Yao Wine	äººå‚å¤©éº»è¯é…’
TCMF7232	Shuang Teng Jin Gu Tablets	åŒè—¤ç‹éª¨ç‰‡
TCMFx2446	Wind Chasing Decoction	æœé£Žé€šç»œæ±¤
TCMFx7158	Yin Huang Qing Fei Capsules	é“¶é»„æ¸…è‚ºèƒ¶å›Š
TCMFx6622	Yun Nan Bai Yao	äº‘å—ç™½è¯
TCMFx6642	Yun Nan Bai Yao Capsules	äº‘å—ç™½è¯èƒ¶å›Š
TCMFx6629	Yun Nan Bai Yao Ding	äº‘å—ç™½è¯é…Š
TCMFx6636	Yun Nan Bai Yao Ointment	äº‘å—ç™½è¯è†
TCMFx6570	Zhuang Yao Xiao Tong Oral Liquid	å£®è…°æ¶ˆç—›æ¶²

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
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: TCMC6876
Formula: C44H70O17

Common Name	Polyphyllin â…¡
IUPAC Name	(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5R,6R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
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@]3(O)[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@@H]([C@H]1O)O)CO)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O
Standard InCHI	InChI=1S/C44H70O17/c1-19-8-13-43(54-18-19)21(3)44(53)29(61-43)15-26-24-7-6-22-14-23(9-11-41(22,4)25(24)10-12-42(26,44)5)56-40-35(52)37(60-38-34(51)32(49)30(47)20(2)55-38)36(28(17-46)58-40)59-39-33(50)31(48)27(16-45)57-39/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35-,36-,37-,38+,39+,40-,41+,42+,43-,44-/m1/s1
Standard InCHIKey	CQYNKDDQOMDAQS-MOYXIDJUSA-N
External Identifiers	ChEMBL [N/A]; PubChem [71307459];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH294	Rhizoma dioscoreae nipponicae	Chuan Shan Long	ç©¿å±±é¾™

Ingredient ID: TCMC6740
Formula: C45H72O16

Common Name	Dioscin
IUPAC Name	(3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2R,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
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]1OC1O[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-RFYRBAQGSA-N
External Identifiers	ChEMBL [N/A]; PubChem [45358125];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH294	Rhizoma dioscoreae nipponicae	Chuan Shan Long	ç©¿å±±é¾™

Ingredient ID: TCMC5654
Formula: C52H86O22

Common Name	Methylprotodioscin
IUPAC Name	(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
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@@](O4)(OC)CC[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)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/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3/t21-,22+,23+,24+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+,48+,49-,50+,51+,52-/m1/s1
Standard InCHIKey	HSSJYSJXBOCKQM-GVTGEURHSA-N
External Identifiers	ChEMBL [CHEMBL453625]; PubChem [11263254];
Reference of Component-Ingredient Pair	28301149

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH294	Rhizoma dioscoreae nipponicae	Chuan Shan Long	ç©¿å±±é¾™
TCMH1491	Dioscorea spongiosa	Mian Bi Xie	ç»µè†è–¢
TCMH2084	Asparagus cochinchinensis	Tian Dong	å¤©å†¬

Ingredient ID: TCMC3966
Formula: C29H50O

Common Name	Sitosterol,Î’-Sitosterol
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES	CC[C@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C
Standard InCHI	InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
Standard InCHIKey	KZJWDPNRJALLNS-FBZNIEFRSA-N
External Identifiers	ChEMBL [CHEMBL221542]; PubChem [457801];
Reference of Component-Ingredient Pair	23115546

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH29	Croton tiglium	Ba Dou Shuang	å·´è±†éœœ
TCMH389	Gleditsiae sinensis fructus	Da Zao Jiao	å¤§çš‚è§’
TCMH224	Thuja orientalis	Ce Bai Ye	ä¾§æŸå¶
TCMH381	Isatis indigotica	Da Qing Ye	å¤§é’å¶
TCMH60	Ginkgo biloba	Bai Guo	ç™½æžœ
TCMH287	Clematidis armandii caulis	Chuan Mu Tong	å·æœ¨é€š
TCMH407	Salvia miltiorrhiza	Dan Shen	ä¸¹å‚
TCMH12	Artemisia argyi	Ai Ye	è‰¾å¶
TCMH28	Croton tiglium	Ba Dou	å·´è±†
TCMH305	Cnidium officinale	Chuan Xiong	å·èŠŽ
TCMH240	Plantago depressa	Che Qian Cao	è½¦å‰è‰
TCMH294	Rhizoma dioscoreae nipponicae	Chuan Shan Long	ç©¿å±±é¾™
TCMH121	Biota orientalis	Bai Zi Ren	æŸåä»
TCMH241	Plantago asiatica	Che Qian Zi	è½¦å‰å
TCMH524	Eucommia ulmoides	Du Zhong	æœä»²
TCMH127	Isatis indigotica	Ban Lan Gen	æ¿è“æ ¹
TCMH562	Saposhnikovia divaricata	Fang Feng	é˜²é£Ž
TCMH327	Eleutherococcus senticosus	Ci Wu Jia	åˆºäº”åŠ
TCMH104	Paeonia lactiflora	Bai Shao	ç™½èŠ
TCMH130	Pinellia ternata	Ban Xia	åŠå¤
TCMH370	Herba cirsii japonici	Da Ji(1)	å¤§è“Ÿ
TCMH258	Paeonia obovata	Chi Shao	èµ¤èŠ
TCMH430	Canavalia gladiata	Dao Dou	åˆ€è±†
TCMH31	Morinda officinalis	Ba Ji Tian	å·´æˆŸå¤©
TCMH385	Sargentodoxa cuneata	Da Xue Teng	å¤§è¡€è—¤
TCMH273	Fritillaria cirrhosa	Chuan Bei Mu	å·è´æ¯
TCMH677	Pueraria lobata	Ge Gen	è‘›æ ¹
TCMH388	Ziziphus jujuba	Da Zao	å¤§æž£
TCMH949	Phellodendron amurense	Huang Bai	é»„æŸ
TCMH1186	Lycium chinense	Gou Qi Zi	æž¸æžå
TCMH628	Glycyrrhiza uralensis	Gan Cao	ç”˜è‰
TCMH700	Drynaria fortunei	Gu Sui Bu	éª¨ç¢Žè¡¥
TCMH776	Piper kadsura	Hai Feng Teng	æµ·é£Žè—¤
TCMH819	Polygonum multiflorum	He Shou Wu	ä½•é¦–ä¹Œ
TCMH1127	Lonicera japonica	Jin Yin Hua	é‡‘é“¶èŠ±
TCMH761	Cinnamomum cassia	Gui Zhi	æ¡‚æž
TCMH1376	Trachelospermum jasminoides	Luo Shi Teng	ç»œçŸ³è—¤
TCMH865	Carthamus tinctorius	Hong Hua	çº¢èŠ±
TCMH981	Astragalus membranaceus	Huang Qi	é»„èŠª
TCMH1368	Apocyni veneti folium	Luo Bu Ma Ye	ç½—å¸ƒéº»å¶
TCMH834	Semen glycine max	Hei Dou	é»‘è±†
TCMH986	Scutellaria baicalensis	Huang Qin	é»„èŠ©
TCMH877	Radix ginseng rubra	Hong Shen	çº¢å‚
TCMH1432	Vitex trifolia	Man Jing Zi	è”“è†å
TCMH1359	Pyrola calliantha	Lu Xian Cao	é¹¿è¡”è‰
TCMH1533	Saussurea lappa	Mu Xiang	æœ¨é¦™
TCMH1698	Semen celosiae	Qing Xiang Zi	é’è‘™å
TCMH1906	Cimicifuga foetida	Sheng Ma	å‡éº»
TCMH1740	Cistanche deserticola	Rou Cong Rong	è‚‰è‹è“‰
TCMH1814	Sophora subprostrata	Shan Dou Gen	å±±è±†æ ¹
TCMH1617	Eriobotrya japonica thunb	Pi Pa Ye	æž‡æ·å¶
TCMH1953	Pyrrosia lingua	Shi Wei	çŸ³éŸ¦
TCMH1634	Typha angustata	Pu Huang	è’²é»„
TCMH1665	Notopterygium incisum	Qiang Huo	ç¾Œæ´»
TCMH1845	Dioscorea batatas	Shan Yao	å±±è¯
TCMH1768	Panax notoginseng	San Qi	ä¸‰ä¸ƒ
TCMH1680	Sinomenium acutum	Qing Feng Teng	é’é£Žè—¤
TCMH1531	Akebia quinata	Mu Tong	æœ¨é€š
TCMH1721	Panax ginseng	Ren Shen	äººå‚
TCMH1797	Morus alba	Sang Ye	æ¡‘å¶
TCMH1866	Cnidium monnieri	She Chuang Zi	è›‡åºŠå
TCMH2090	Gastrodia elata	Tian Ma	å¤©éº»
TCMH2094	Arisaema consanguineum	Tian Nan Xing	å¤©å—æ˜Ÿ
TCMH2641	Gardenia jasminoides	Zhi Zi	æ €å
TCMH2545	Houttuynia cordata	Yu Xing Cao	é±¼è…¥è‰
TCMH2252	Agrimonia pilosa var. japonica	Xian He Cao	ä»™é¹¤è‰
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	ç´«è‹å¶
TCMH2343	Scrophularia ningpoensis	Xuan Shen	çŽ„å‚
TCMH2684	Ardisia crenata	Zhu Sha Gen	æœ±ç ‚æ ¹
TCMH2295	fructus foeniculi	Xiao Hui Xiang	å°èŒ´é¦™
TCMH2297	Cirsium setosum	Xiao Ji	å°è“Ÿ

Ingredient ID: TCMC3648
Formula: C52H86O23

Common Name	Methylprotogracillin
IUPAC Name	(2S,3R,4R,5R,6S)-2-[(2R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
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@@](O4)(OC)CC[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C)C2)C)C([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C52H86O23/c1-21(20-67-46-41(63)39(61)35(57)30(17-53)70-46)9-14-52(66-6)22(2)33-29(75-52)16-28-26-8-7-24-15-25(10-12-50(24,4)27(26)11-13-51(28,33)5)69-49-45(74-47-42(64)38(60)34(56)23(3)68-47)44(37(59)32(19-55)72-49)73-48-43(65)40(62)36(58)31(18-54)71-48/h7,21-23,25-49,53-65H,8-20H2,1-6H3/t21-,22+,23+,25+,26-,27+,28+,29+,30-,31-,32-,33+,34+,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45?,46-,47+,48+,49-,50+,51+,52-/m1/s1
Standard InCHIKey	LOSNTJHBTWBJCC-OOVOOHTRSA-N
External Identifiers	ChEMBL [N/A]; PubChem [171348];
Reference of Component-Ingredient Pair	1667189

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH294	Rhizoma dioscoreae nipponicae	Chuan Shan Long	ç©¿å±±é¾™
TCMH37	Smilax china	Ba Qia	èè‘œ

Ingredient ID: TCMC3566
Formula: C45H72O17

Common Name	Gracillin
IUPAC Name	(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
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[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(53)34(51)31(48)21(3)56-40)38(33(50)29(17-47)59-42)60-41-37(54)35(52)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,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	YQEMAEKYNNOCBY-IEMDQPGHSA-N
External Identifiers	ChEMBL [CHEMBL500045]; PubChem [159861];
Reference of Component-Ingredient Pair	27394958

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH294	Rhizoma dioscoreae nipponicae	Chuan Shan Long	ç©¿å±±é¾™
TCMH37	Smilax china	Ba Qia	èè‘œ
TCMH1491	Dioscorea spongiosa	Mian Bi Xie	ç»µè†è–¢

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	è‹¦è‰¯å§œ
TCMH1167	Dioscorea hypoglauca	Jiu Niu Li	ä¹ç‰›åŠ›
TCMH276	Dioscorea septemloba	Chuan Bi Xie	å·è†è–¢
TCMH285	Dioscorea nipponica	Chuan Long Shu Yu	ç©¿é¾™è–¯è“£
TCMH535	Dioscorea zingiberensis	Dun Ye Shu Yu Gen Jing	ç›¾å¶è–¯è“£æ ¹èŒŽ
TCMH721	Rhizoma dioscoreae nipponicae	Guang Di Long	å¹¿åœ°é¾™
TCMH1512	Isatis indigotica	Mu Da Qing Ye	æœ¨å¤§é’å¶
TCMH294	Rhizoma dioscoreae nipponicae	Chuan Shan Long	ç©¿å±±é¾™
TCMH456	Rhizoma dioscoreae nipponicae	Di Long	åœ°é¾™
TCMH126	Isatis indigotica	Ban Lan	æ¿è“
TCMH127	Isatis indigotica	Ban Lan Gen	æ¿è“æ ¹
TCMH381	Isatis indigotica	Da Qing Ye	å¤§é’å¶
TCMH1510	Isatis indigotica	Mu Ban Lan Gen	æœ¨æ¿è“æ ¹
TCMH170	Dioscorea hypoglauca	Bi Xie	è†è–¢

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
TCMC3566	C45H72O17	Gracillin	884.4769508	-4.4636	4.54	2.562	17	9	255.91	8	9	62	2
TCMC3648	C52H86O23	Methylprotogracillin	1078.555989	-6.5685	4.65	0.955	23	13	355.29	16	9	75	3
TCMC3966	C29H50O	Sitosterol,Î’-Sitosterol	414.3861662	1.3	4.54	11.595	1	1	20.23	6	4	30	1
TCMC5654	C52H86O22	Methylprotodioscin	1062.561074	-6.0685	4.76	1.229	22	12	335.06	15	9	74	3
TCMC6740	C45H72O16	Dioscin	868.4820362	-3.9636	4.65	2.836	16	8	235.68	7	9	61	2
TCMC6876	C44H70O17	Polyphyllin â…¡	870.4613008	-4.6638	4.43	1.044	17	9	255.91	8	9	61	2

Download Data

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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: Rhizoma dioscoreae nipponicae ç©¿å±±é¾™

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: TCMC6876

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6740

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5654

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3966

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3648

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3566

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1015

Occurrence of the ingredient across TCM components

Properties

Download Data