Description of the Component
Component ID |
TCMH1680 |
Latin Name |
Sinomenium acutum |
English Name |
Orientvine |
Chinese Pinyin Name |
Qing Feng Teng |
中文名 |
青风藤 |
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 |
ITSAJ4218-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1431 | Qufeng Shujin Pills | 祛风舒筋丸 |
| TCMF1450 | Goupi Plaster | 狗皮膏 |
| TCMF2606 | Qufeng Shujin Pills | 祛风舒筋丸 |
| TCMF2631 | Goupi Plaster, Dog-skin Plaster | 狗皮膏 |
| TCMF3424 | Feng Shi Han Tong Tablets | 风湿寒痛片 |
| TCMF3440 | Feng Shi Ling Xian Oral Liquid | 风湿灵仙液 |
| TCMF3487 | Feng Shi Sheng Yao Capsules | 风湿圣药胶囊 |
| TCMF3493 | Bao Gu Huo Luo Pills | 豹骨活络丸 |
| TCMF3516 | Bao Gu Zhui Feng Ointment | 豹骨追风膏 |
| TCMF3605 | Shen Rong Mu Gua Yao Wine | 参茸木瓜药酒 |
Showing 1 to 10 of 22 entries
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
| TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT116 | OPRM1 | Mu opioid receptor | GPCR | P35372 |
| TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
| TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
| TCMT132 | BCHE | Butyrylcholinesterase | Hydrolase | P06276 |
| TCMT151 | PRKCA | Protein kinase C alpha | Kinase | P17252 |
| TCMT159 | TYR | Tyrosinase | Oxidoreductase | P14679 |
| TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
Showing 1 to 10 of 58 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1218 | Staphylococcus aureus |
| TCMT1438 | Plasmodium falciparum |
| TCMT1463 | Mycobacterium tuberculosis |
| TCMT1465 | Entamoeba histolytica |
Showing 1 to 4 of 4 entries
Ingredient Structrues
Ingredient ID: TCMC850
Formula: C8H10N4O2
Ingredient ID: TCMC850
| Common Name | Caffeine |
| IUPAC Name | 1,3,7-trimethylpurine-2,6-dione |
| Canonical SMILES | Cn1cnc2c1c(=O)n(C)c(=O)n2C |
| Standard InCHI | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 |
| Standard InCHIKey | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL113]; PubChem [2519]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1177 | Ilex cornuta | Ju Gu Ye | 枸骨叶 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
| TCMH2215 | Ficus simplicissima | Wu Zhi Mao Tao | 五指毛桃 |
| TCMH226 | Camellia sinensis | Cha Ye | 茶叶 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH51 | Camellia sinensis | Bai Cha | 白茶 |
| TCMH561 | Senegalia catechu | Fang Er Cha | 方儿茶 |
| TCMH565 | Stephania tetrandra | Fang Ji | 防己 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC801
Formula: C29H50O
Ingredient ID: TCMC801
| Common Name | Beta-Sitosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-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-VJSFXXLFSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [222284]; |
| Reference of Component-Ingredient Pair | 24130033 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1017 | Oxytropis myriophylla | Ji Dou | 棘豆 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
Showing 1 to 10 of 331 entries
Ingredient ID: TCMC722
Formula: C17H11NO7
Ingredient ID: TCMC722
| Common Name | Aristolochic Acid |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cccc2c1cc(N(=O)=O)c1c2c2OCOc2cc1C(=O)O |
| Standard InCHI | InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20) |
| Standard InCHIKey | BBFQZRXNYIEMAW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL93353]; PubChem [2236]; |
| Reference of Component-Ingredient Pair | 21526364 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1693 | Aristolochia debilis | Qing Mu Xiang | 青木香 |
| TCMH2239 | Asarum sieboldii | Xi Xin | 细辛 |
| TCMH2685 | Aristolochia kaempferi | Zhu Sha Lian | 朱砂莲 |
| TCMH565 | Stephania tetrandra | Fang Ji | 防己 |
| TCMH718 | Aristolochia manshuriensis | Guan Mu Tong | 关木通 |
| TCMH727 | Aristolochia fangchi | Guang Fang Ji | 广防己 |
| TCMH799 | Sinomenium acutum | Han Fang Ji | 汉防己 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC6621
Formula: C38H44N2O8
Ingredient ID: TCMC6621
| Common Name | Disinomenine |
| IUPAC Name | (1S,9R,10S)-3-hydroxy-6-[(1S,9R,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-6-yl]-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one |
| Canonical SMILES | COC1=C[C@@H]2[C@H]3Cc4c([C@]2(CC1=O)CC[NH+]3C)c(O)c(cc4c1cc(OC)c(c2c1C[C@H]1[NH+](C)CC[C@@]32[C@@H]1C=C(C(=O)C3)OC)O)OC |
| Standard InCHI | InChI=1S/C38H44N2O8/c1-39-9-7-37-17-27(41)29(45-3)15-23(37)25(39)11-21-19(13-31(47-5)35(43)33(21)37)20-14-32(48-6)36(44)34-22(20)12-26-24-16-30(46-4)28(42)18-38(24,34)8-10-40(26)2/h13-16,23-26,43-44H,7-12,17-18H2,1-6H3/p+2/t23-,24-,25-,26-,37+,38+/m1/s1 |
| Standard InCHIKey | AXVVWZONCVUAPP-HDEPOWLFSA-P |
| External Identifiers | ChEMBL [CHEMBL255668]; PubChem [25150829]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC631
Formula: C5H5N5
Ingredient ID: TCMC631
| Common Name | Adenine |
| IUPAC Name | 7H-purin-6-amine |
| Canonical SMILES | Nc1nc[nH]c2c1ncn2 |
| Standard InCHI | InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) |
| Standard InCHIKey | GFFGJBXGBJISGV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL226345]; PubChem [190]; |
| Reference of Component-Ingredient Pair | 24211769 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1102 | Tinospora capillipes | Jin Guo Lan | 金果榄 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
Showing 1 to 10 of 59 entries
Ingredient ID: TCMC6303
Formula: C19H23NO4
Ingredient ID: TCMC6303
| Common Name | Isosinomenine |
| IUPAC Name | (1R,9R,10S)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,13-tetraen-12-one |
| Canonical SMILES | COC1=C[C@@]23CC[NH+]([C@@H]([C@H]2CC1=O)Cc1c3c(O)c(cc1)OC)C |
| Standard InCHI | InChI=1S/C19H23NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,10,12-13,22H,6-9H2,1-3H3/p+1/t12-,13-,19+/m1/s1 |
| Standard InCHIKey | OWDQPILTDJLGCN-VPZZIHKRSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [15976471]; |
| Reference of Component-Ingredient Pair | 24593266 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5380
Formula: C17H15NO3
Ingredient ID: TCMC5380
| Common Name | Michelalbine |
| IUPAC Name | (12S,13R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol |
| Canonical SMILES | O[C@@H]1c2ccccc2c2c3[C@@H]1[NH2+]CCc3cc1c2OCO1 |
| Standard InCHI | InChI=1S/C17H15NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-4,7,15-16,18-19H,5-6,8H2/p+1/t15-,16+/m0/s1 |
| Standard InCHIKey | CKIYSMRPIBQTHQ-JKSUJKDBSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [10378981]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5335
Formula: C19H24ClNO6
Ingredient ID: TCMC5335
| Common Name | Acutumine |
| IUPAC Name | (1S,4'S,6S,10R,11S)-11-chloro-4'-hydroxy-3',4,5-trimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione |
| Canonical SMILES | COC1=C([O-])C[C@@]23[C@](C1=[O]C)(C[C@@H]([C@@]13C(=CC(=[O]C)[C@H]1O)[O-])Cl)[NH+](C)CC2 |
| Standard InCHI | InChI=1S/C19H26ClNO6/c1-21-6-5-17-8-10(22)14(26-3)16(27-4)18(17,21)9-12(20)19(17)13(23)7-11(25-2)15(19)24/h7,12,15,22-24H,5-6,8-9H2,1-4H3/p-1/t12-,15+,17+,18+,19+/m0/s1 |
| Standard InCHIKey | SZTHXZKMTHTGOB-FMAJMWNWSA-M |
| External Identifiers | ChEMBL [CHEMBL391628]; PubChem [10200848]; |
| Reference of Component-Ingredient Pair | 25135456 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5210
Formula: C20H21NO4
Ingredient ID: TCMC5210
| Common Name | Sinactine |
| IUPAC Name | (13S)-16,17-dimethoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaene |
| Canonical SMILES | COc1cc2c(cc1OC)CC[NH+]1[C@H]2Cc2ccc3c(c2C1)OCO3 |
| Standard InCHI | InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/p+1/t16-/m0/s1 |
| Standard InCHIKey | UWEHVAXMSWXKRW-INIZCTEOSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [8016594]; |
| Reference of Component-Ingredient Pair | 1957677 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4324
Formula: C29H48O
Ingredient ID: TCMC4324
| Common Name | Stigmasterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-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)/C=C/[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/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | HCXVJBMSMIARIN-KEJCWXRGSA-N |
| External Identifiers | ChEMBL [CHEMBL400247]; PubChem [5281330]; |
| Reference of Component-Ingredient Pair | 24242815 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1533 | Saussurea lappa | Mu Xiang | 木香 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
Showing 1 to 10 of 37 entries
Ingredient ID: TCMC4166
Formula: C19H23NO4
Ingredient ID: TCMC4166
| Common Name | Sinomenine |
| IUPAC Name | (1S,9R,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one |
| Canonical SMILES | COC1=C[C@@H]2[C@H]3Cc4c([C@]2(CC1=O)CC[NH+]3C)c(O)c(cc4)OC |
| Standard InCHI | InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/p+1/t12-,13-,19+/m1/s1 |
| Standard InCHIKey | INYYVPJSBIVGPH-VPZZIHKRSA-O |
| External Identifiers | ChEMBL [CHEMBL248095]; PubChem [1403661]; |
| Reference of Component-Ingredient Pair | N/A |
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: TCMC3927
Formula: C18H22ClNO6
Ingredient ID: TCMC3927
| Common Name | Acutumidine |
| IUPAC Name | (1S,4'S,6S,10R,11S)-11-chloro-4'-hydroxy-3',4,5-trimethoxyspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione |
| Canonical SMILES | COC1=C([O-])C[C@@]23[C@@](C1=[O]C)([NH2+]CC2)C[C@@H]([C@@]13C(=CC(=[O]C)[C@H]1O)[O-])Cl |
| Standard InCHI | InChI=1S/C18H24ClNO6/c1-24-10-6-12(22)18(14(10)23)11(19)8-17-15(26-3)13(25-2)9(21)7-16(17,18)4-5-20-17/h6,11,14,20-23H,4-5,7-8H2,1-3H3/p-1/t11-,14+,16+,17+,18+/m0/s1 |
| Standard InCHIKey | QRVLOTKTBHRSFJ-NQTWQHAWSA-M |
| External Identifiers | ChEMBL [CHEMBL237548]; PubChem [442840]; |
| Reference of Component-Ingredient Pair | 11348110 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3784
Formula: C18H19NO3
Ingredient ID: TCMC3784
| Common Name | Tuduranine |
| IUPAC Name | (6aR)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-ol |
| Canonical SMILES | COc1cc2CC[NH2+][C@H]3c2c(c1OC)c1cc(O)ccc1C3 |
| Standard InCHI | InChI=1S/C18H19NO3/c1-21-15-8-11-5-6-19-14-7-10-3-4-12(20)9-13(10)17(16(11)14)18(15)22-2/h3-4,8-9,14,19-20H,5-7H2,1-2H3/p+1/t14-/m1/s1 |
| Standard InCHIKey | KUECBJOPWMRHEX-CQSZACIVSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [363262]; |
| Reference of Component-Ingredient Pair | US8557837 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3717
Formula: C18H19NO3
Ingredient ID: TCMC3717
| Common Name | Stepharine |
| IUPAC Name | (4R)-10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one |
| Canonical SMILES | COc1c(OC)cc2c3c1C1(C=CC(=O)C=C1)C[C@H]3[NH2+]CC2 |
| Standard InCHI | InChI=1S/C18H19NO3/c1-21-14-9-11-5-8-19-13-10-18(6-3-12(20)4-7-18)16(15(11)13)17(14)22-2/h3-4,6-7,9,13,19H,5,8,10H2,1-2H3/p+1/t13-/m1/s1 |
| Standard InCHIKey | OGJKMZVUJJYWKO-CYBMUJFWSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [193686]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC315
Formula: C21H25NO4
Ingredient ID: TCMC315
| Common Name | 2,3,9,10-Tetramethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino[2,1-B]Isoquinoline |
| IUPAC Name | 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline |
| Canonical SMILES | COc1cc2CCN3C(c2cc1OC)Cc1c(C3)c(OC)c(cc1)OC |
| Standard InCHI | InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3 |
| Standard InCHIKey | AEQDJSLRWYMAQI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL187892]; PubChem [5417]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1092 | Stephania sinica | Jin Bu Huan | 金不换 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH2248 | Corydalis decumbens | Xia Tian Wu | 夏天无 |
| TCMH2330 | Coptis chinensis | Xiong Huang Lian | 雄黄连 |
| TCMH2339 | Rhizoma corydalis | Xuan Hu | 玄胡 |
Showing 1 to 10 of 33 entries
Ingredient ID: TCMC2964
Formula: C17H34O2
Ingredient ID: TCMC2964
| Common Name | Methyl Hexadecanate,Methyl Palmitate |
| IUPAC Name | methyl hexadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)OC |
| Standard InCHI | InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3 |
| Standard InCHIKey | FLIACVVOZYBSBS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL335125]; PubChem [8181]; |
| Reference of Component-Ingredient Pair | 22978235 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH305 | Cnidium officinale | Chuan Xiong | 川芎 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
| TCMH925 | Exocarpium citri grandis | Hua Ju Hong | 化橘红 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC2676
Formula: C19H23NO4
Ingredient ID: TCMC2676
| Common Name | Sinomenine |
| IUPAC Name | n.a. |
| Canonical SMILES | COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC |
| Standard InCHI | InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1 |
| Standard InCHIKey | INYYVPJSBIVGPH-QHRIQVFBSA-N |
| External Identifiers | ChEMBL [CHEMBL248095]; PubChem [5459308]; |
| Reference of Component-Ingredient Pair | 22721764 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2516
Formula: C38H42N2O6
Ingredient ID: TCMC2516
| Common Name | Phaeanthine |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@@H]4Cc1ccc(Oc4cc(C[C@H]3N(CC2)C)ccc4OC)cc1)C |
| Standard InCHI | InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m1/s1 |
| Standard InCHIKey | WVTKBKWTSCPRNU-LOYHVIPDSA-N |
| External Identifiers | ChEMBL [CHEMBL445477]; PubChem [73664]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2487
Formula: C15H22O2
Ingredient ID: TCMC2487
| Common Name | Ligucyperonol |
| IUPAC Name | (4R,4aR,7R)-4-hydroxy-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one |
| Canonical SMILES | CC(=C)[C@@H]1CC[C@@]2(C(=C(C)C(=O)C[C@H]2O)C1)C |
| Standard InCHI | InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3/t11-,14-,15-/m1/s1 |
| Standard InCHIKey | MROVETGJOLYNJI-KCPJHIHWSA-N |
| External Identifiers | ChEMBL [CHEMBL462897]; PubChem [14681770]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2383
Formula: C20H23NO4
Ingredient ID: TCMC2383
| Common Name | Magnoflorine |
| IUPAC Name | (6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-1,11-diol |
| Canonical SMILES | COc1ccc2c(c1O)c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 |
| Standard InCHI | InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1 |
| Standard InCHIKey | YLRXAIKMLINXQY-ZDUSSCGKSA-O |
| External Identifiers | ChEMBL [CHEMBL235428]; PubChem [73337]; |
| Reference of Component-Ingredient Pair | 24709313 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1102 | Tinospora capillipes | Jin Guo Lan | 金果榄 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
| TCMH140 | Menispermum dauricum | Bei Dou Gen | 北豆根 |
| TCMH1416 | Thalictrum foliolosum | Ma Wei Lian | 马尾连 |
| TCMH1516 | Cocculus trilobus | Mu Fang Ji | 木防己 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1693 | Aristolochia debilis | Qing Mu Xiang | 青木香 |
| TCMH1764 | Cortex berberidis | San Ke Zhen | 三棵针 |
Showing 1 to 10 of 33 entries
Ingredient ID: TCMC2117
Formula: C22H26O8
Ingredient ID: TCMC2117
| Common Name | Syringaresinol |
| IUPAC Name | 4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol |
| Canonical SMILES | COc1cc(cc(c1O)OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(c(c1)OC)O |
| Standard InCHI | InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1 |
| Standard InCHIKey | KOWMJRJXZMEZLD-HCIHMXRSSA-N |
| External Identifiers | ChEMBL [CHEMBL361362]; PubChem [443023]; |
| Reference of Component-Ingredient Pair | 23444043 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH149 | Lepidium apetalum | Bei Ting Li Zi | 北葶苈子 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
Showing 1 to 10 of 32 entries
Ingredient ID: TCMC2106
Formula: C19H21NO4
Ingredient ID: TCMC2106
| Common Name | Stepholidine |
| IUPAC Name | (13aS)-3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol |
| Canonical SMILES | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O |
| Standard InCHI | InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1 |
| Standard InCHIKey | JKPISQIIWUONPB-HNNXBMFYSA-N |
| External Identifiers | ChEMBL [CHEMBL487387]; PubChem [6917970]; |
| Reference of Component-Ingredient Pair | 27688181 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2040
Formula: C19H21NO4
Ingredient ID: TCMC2040
| Common Name | Salutaridine |
| IUPAC Name | n.a. |
| Canonical SMILES | COC1=C[C@@]23CCN([C@@H](C2=CC1=O)Cc1c3c(O)c(cc1)OC)C |
| Standard InCHI | InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/m1/s1 |
| Standard InCHIKey | GVTRUVGBZQJVTF-YJYMSZOUSA-N |
| External Identifiers | ChEMBL [CHEMBL404097]; PubChem [5408233]; |
| Reference of Component-Ingredient Pair | 21475122 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH139 | Thlaspi arvense | Bei Bai Jiang | 北败酱 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH2514 | Papaver somniferum | Ying Su | 罂粟 |
| TCMH2515 | Papaver somniferum | Ying Su Ke | 罂粟壳 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC1841
Formula: C7H8N4O2
Ingredient ID: TCMC1841
| Common Name | Paraxanthine |
| IUPAC Name | 1,7-dimethyl-3H-purine-2,6-dione |
| Canonical SMILES | Cn1c(O)nc2c(c1=O)n(C)cn2 |
| Standard InCHI | InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) |
| Standard InCHIKey | QUNWUDVFRNGTCO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1158]; PubChem [4687]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1767
Formula: C18H19NO4
Ingredient ID: TCMC1767
| Common Name | N-Trans-Feruloyl Tyramine |
| IUPAC Name | (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide |
| Canonical SMILES | COc1cc(/C=C/C(=NCCc2ccc(cc2)O)O)ccc1O |
| Standard InCHI | InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+ |
| Standard InCHIKey | NPNNKDMSXVRADT-WEVVVXLNSA-N |
| External Identifiers | ChEMBL [CHEMBL206555]; PubChem [5280537]; |
| Reference of Component-Ingredient Pair | 11509987 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1024 | Tribulus terrestris | Ji Li | 蒺藜 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1265 | Chenopodium album | Li | 藜 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1380 | Humulus japonicus | Lv Cao | 葎草 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
Showing 1 to 10 of 41 entries
Ingredient ID: TCMC1652
Formula: C36H38N2O6
Ingredient ID: TCMC1652
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2CCN([C@H]3c2cc1Oc1cc(ccc1O)C[C@H]1N(C)CCc2c1c(Oc1ccc(C3)cc1)c(c(c2)OC)O)C |
| Standard InCHI | InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m1/s1 |
| Standard InCHIKey | NGZXDRGWBULKFA-VSGBNLITSA-N |
| External Identifiers | ChEMBL [CHEMBL1169627]; PubChem [253793]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1625
Formula: C20H21NO4
Ingredient ID: TCMC1625
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)C[C@@H]1c3c2c2OCOc2cc3CCN1C |
| Standard InCHI | InChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m1/s1 |
| Standard InCHIKey | YJWBWQWUHVXPNC-CQSZACIVSA-N |
| External Identifiers | ChEMBL [CHEMBL478754]; PubChem [317843]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1457
Formula: C3H6O3
Ingredient ID: TCMC1457
| Common Name | Lactic Acid |
| IUPAC Name | 2-hydroxypropanoic acid |
| Canonical SMILES | OC(=O)C(O)C |
| Standard InCHI | InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) |
| Standard InCHIKey | JVTAAEKCZFNVCJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1200559]; PubChem [612]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2191 | Prunus mume | Wu Mei | 乌梅 |
| TCMH2192 | Prunus mume | Wu Mei Rou | 乌梅肉 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
| TCMH93 | Prunus mume | Bai Mei Hua | 白梅花 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC1171
Formula: C37H40N2O6
Ingredient ID: TCMC1171
| Common Name | Fangchinoline |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2CCN([C@@H]3c2c(c1O)Oc1cc2c(cc1OC)CCN([C@H]2Cc1ccc(Oc2cc(C3)ccc2OC)cc1)C)C |
| Standard InCHI | InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1 |
| Standard InCHIKey | IIQSJHUEZBTSAT-VMPREFPWSA-N |
| External Identifiers | ChEMBL [CHEMBL504256]; PubChem [73481]; |
| Reference of Component-Ingredient Pair | 26408176 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1170
Formula: C38H42N2O6
Ingredient ID: TCMC1170
| Common Name | Fanchinin |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@@H]3N(CC2)C)ccc4OC)cc1)C |
| Standard InCHI | InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1 |
| Standard InCHIKey | WVTKBKWTSCPRNU-KYJUHHDHSA-N |
| External Identifiers | ChEMBL [CHEMBL176045]; PubChem [73078]; |
| Reference of Component-Ingredient Pair | 21811889 |
Occurrence of the ingredient across TCM components
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1170 | C38H42N2O6 | Fanchinin | 622.3 | 0.274 | 4.76 | 6.098 | 2 | 0 | 61.86 | 10 | 6 | 46 | 1 |
| TCMC1171 | C37H40N2O6 | Fangchinoline | 608.29 | -0.1345 | 4.65 | 5.579 | 2 | 1 | 72.86 | 9 | 6 | 45 | 1 |
| TCMC1457 | C3H6O3 | Lactic Acid | 90.03 | -0.8059 | 1.46 | -0.591 | 3 | 2 | 57.53 | 4 | 0 | 6 | 0 |
| TCMC1625 | C20H21NO4 | 339.15 | -0.0116 | 3.11 | 2.164 | 1 | 0 | 40.16 | 5 | 5 | 25 | 0 | |
| TCMC1652 | C36H38N2O6 | 594.27 | -0.543 | 4.54 | 5.06 | 2 | 2 | 83.86 | 8 | 6 | 44 | 1 | |
| TCMC1767 | C18H19NO4 | N-Trans-Feruloyl Tyramine | 313.13 | -0.6499 | 2.89 | 3.109 | 2 | 3 | 82.28 | 10 | 2 | 23 | 0 |
| TCMC1841 | C7H8N4O2 | Paraxanthine | 180.06 | 0.0198 | 1.57 | -0.503 | 6 | 1 | 70.72 | 3 | 2 | 13 | 0 |
| TCMC2040 | C19H21NO4 | Salutaridine | 327.15 | -0.6163 | 3 | 1.283 | 3 | 1 | 59 | 6 | 4 | 24 | 0 |
| TCMC2106 | C19H21NO4 | Stepholidine | 327.15 | -0.7202 | 3 | 1.51 | 1 | 2 | 62.16 | 6 | 4 | 24 | 0 |
| TCMC2117 | C22H26O8 | Syringaresinol | 418.16 | -2.1258 | 3 | 0.796 | 2 | 2 | 95.84 | 12 | 4 | 30 | 0 |
Showing 1 to 10 of 31 entries
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