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 |
穿山龙 |
TCM Properties |
Minor cold,Bitter |
TCM Meridians |
Lung,Liver |
Therapeutic Class English |
For dispelling wind-dampness |
Therapeutic Class Chinese |
祛风湿 |
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 |
|---|---|---|
| TCMF3399 | Feng Shi Guan Jie Wine | 风湿关节酒 |
| TCMF3487 | Feng Shi Sheng Yao Capsules | 风湿圣药胶囊 |
| TCMF4284 | Jin Gu Ning Cha Ji | 筋骨宁搽剂 |
| TCMF4818 | Jia Wei Tian Me Capsules | 加味天麻胶囊 |
| TCMF7232 | Shuang Teng Jin Gu Tablets | 双藤筋骨片 |
| TCMFx2446 | Wind Chasing Decoction | 搜风通络汤 |
| TCMFx3417 | Gu Ci Pills | 骨刺丸 |
| TCMFx3425 | Gu Ci Xiao Tong Capsules | 骨刺消痛胶囊 |
| TCMFx3428 | Chuan Long Gu Ci Tablets | 穿龙骨刺片 |
| TCMFx3433 | Gu Ci Xiao Tong Tablets | 骨刺消痛片 |
Showing 1 to 10 of 28 entries
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 |
Showing 1 to 3 of 3 entries
Targeted Pathogenic Microbes by the Ingredient of Component
Ingredient Structrues
Ingredient ID: TCMC6876
Formula: C44H70O17
Ingredient ID: TCMC6876
| Common Name | Polyphyllin Ⅱ |
| 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
Ingredient ID: TCMC6740
Formula: C45H72O16
Ingredient ID: TCMC6740
| 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
Ingredient ID: TCMC5654
Formula: C52H86O22
Ingredient ID: TCMC5654
| 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
Ingredient ID: TCMC3966
Formula: C29H50O
Ingredient ID: TCMC3966
| Common Name | Sitosterol,Β-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 |
|---|---|---|---|
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH121 | Biota orientalis | Bai Zi Ren | 柏子仁 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
Showing 1 to 10 of 71 entries
Ingredient ID: TCMC3648
Formula: C52H86O23
Ingredient ID: TCMC3648
| 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
Ingredient ID: TCMC3566
Formula: C45H72O17
Ingredient ID: TCMC3566
| 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
Ingredient ID: TCMC1015
Formula: C11H10N2O
Ingredient ID: TCMC1015
| 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 |
|---|---|---|---|
| TCMH1167 | Dioscorea hypoglauca | Jiu Niu Li | 九牛力 |
| TCMH1213 | Dioscorea parviflora | Ku Liang Jiang | 苦良姜 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH170 | Dioscorea hypoglauca | Bi Xie | 萆薢 |
| TCMH276 | Dioscorea septemloba | Chuan Bi Xie | 川萆薢 |
| TCMH285 | Dioscorea nipponica | Chuan Long Shu Yu | 穿龙薯蓣 |
| TCMH294 | Rhizoma dioscoreae nipponicae | Chuan Shan Long | 穿山龙 |
Showing 1 to 10 of 14 entries
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,Β-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 Ⅱ | 870.4613008 | -4.6638 | 4.43 | 1.044 | 17 | 9 | 255.91 | 8 | 9 | 61 | 2 |
Showing 1 to 7 of 7 entries
Download Data
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