Description of the Component
Component ID |
TCMH1662 |
Latin Name |
Pharbitis nil |
English Name |
Lobedleaf pharbitis seed |
Chinese Pinyin Name |
Qian Niu Zi |
中文名 |
牵牛子 |
TCM Properties |
Cold,Bitter |
TCM Meridians |
Lung,Large Intestine,Kidney |
Therapeutic Class English |
Purging |
Therapeutic Class Chinese |
泻下 |
Functions |
cause drastic purgation for clearing away retained fluid, and kill worms |
Toxicity |
Extremely Toxic |
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 |
|---|---|---|
| TCMF1373 | Aucklandiae and Arecae Pills | 木香槟榔丸 |
| TCMF176 | Yi Nian Jin Capsule | 一捻金胶囊 |
| TCMF2252 | Zhouju Pill | |
| TCMF2330 | Pills of Aucklandiae and Arecae | 木香槟榔丸 |
| TCMF3155 | Chen Xiang Hua Zhi Pills | 沉香化滞丸 |
| TCMF3170 | Chen Xiang Li Qi Pills | 沉香利气丸 |
| TCMF3823 | Fu Fang Niu Huang Qing Wei Pills | 复方牛黄清胃丸 |
| TCMF4236 | Niu Huang Qing Wei Pills | 牛黄清胃丸 |
| TCMF4302 | Jian Shen Xiao Dao Infusion | 健身消导冲剂 |
| TCMF4417 | Huo Xue Pills | 活血丸 |
Showing 1 to 10 of 81 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 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
| TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
| TCMT3 | ALOX15 | Arachidonate 15-lipoxygenase | Oxidoreductase | P16050 |
| TCMT31 | CYP2C19 | Cytochrome P450 2C19 | Oxidoreductase | P33261 |
| TCMT33 | CYP3A4 | Cytochrome P450 3A4 | Oxidoreductase | P08684 |
| TCMT34 | CYP2D6 | Cytochrome P450 2D6 | Oxidoreductase | P10635 |
| TCMT38 | DRD2 | Dopamine D2 receptor | GPCR | P14416 |
| TCMT565 | EP300 | Histone acetyltransferase p300 | Transferase | Q09472 |
Showing 1 to 10 of 17 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1223 | Staphylococcus epidermidis |
| TCMT1455 | Mycobacterium tuberculosis H37Rv |
| TCMT1463 | Mycobacterium tuberculosis |
Showing 1 to 3 of 3 entries
Ingredient Structrues
Ingredient ID: TCMC5934
Formula: C5H10O3
Ingredient ID: TCMC5934
| Common Name | Nilic Acid |
| IUPAC Name | (2S,3R)-3-hydroxy-2-methylbutanoic acid |
| Canonical SMILES | [O-]C(=O)[C@H]([C@H](O)C)C |
| Standard InCHI | InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/p-1/t3-,4+/m0/s1 |
| Standard InCHIKey | VEXDRERIMPLZLU-IUYQGCFVSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [12313370]; |
| Reference of Component-Ingredient Pair | 10755375 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5924
Formula: C16H18N2O2
Ingredient ID: TCMC5924
| Common Name | Isopenniclavine |
| IUPAC Name | (6aR,9R)-9-(hydroxymethyl)-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-ol |
| Canonical SMILES | OC[C@]1(O)C[NH+](C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3 |
| Standard InCHI | InChI=1S/C16H18N2O2/c1-18-8-16(20,9-19)6-12-11-3-2-4-13-15(11)10(7-17-13)5-14(12)18/h2-4,6-7,14,17,19-20H,5,8-9H2,1H3/p+1/t14-,16-/m1/s1 |
| Standard InCHIKey | KCHBNRCSCHMJFD-GDBMZVCRSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [12311156]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4379
Formula: C19H22O5
Ingredient ID: TCMC4379
| Common Name | Gibberellin A5 |
| IUPAC Name | (1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid |
| Canonical SMILES | [O-]C(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@](C5)(O)CC4)CC=C[C@@]2(C)C(=O)O3 |
| Standard InCHI | InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/p-1/t11-,12-,13-,16-,17+,18+,19-/m1/s1 |
| Standard InCHIKey | ZOWHLBOPCIHIHW-KQBHUUJHSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [5281988]; |
| Reference of Component-Ingredient Pair | 24522457 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4332
Formula: C16H20N2O
Ingredient ID: TCMC4332
| Common Name | Chanoclavine |
| IUPAC Name | (E)-2-methyl-3-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol |
| Canonical SMILES | C[NH2+][C@@H]1Cc2c[nH]c3c2c([C@H]1/C=C(/CO)C)ccc3 |
| Standard InCHI | InChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/p+1/b10-6+/t13-,15-/m1/s1 |
| Standard InCHIKey | SAHHMCVYMGARBT-HEESEWQSSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [5281381]; |
| Reference of Component-Ingredient Pair | 28714687 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4286
Formula: C19H24O5
Ingredient ID: TCMC4286
| Common Name | Gibberellin A20 |
| IUPAC Name | (1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid |
| Canonical SMILES | [O-]C(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@](C5)(O)CC4)CCC[C@@]2(C)C(=O)O3 |
| Standard InCHI | InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/p-1/t11-,12-,13-,16-,17+,18+,19-/m1/s1 |
| Standard InCHIKey | OXFPYCSNYOFUCH-KQBHUUJHSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [5280481]; |
| Reference of Component-Ingredient Pair | 24994010 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3822
Formula: C16H18N2O
Ingredient ID: TCMC3822
| Common Name | Elymoclavine |
| IUPAC Name | [(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol |
| Canonical SMILES | OCC1=C[C@H]2[C@H]([NH+](C1)C)Cc1c3c2cccc3[nH]c1 |
| Standard InCHI | InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,13,15,17,19H,6,8-9H2,1H3/p+1/t13-,15-/m1/s1 |
| Standard InCHIKey | DAVNRFCJMIONPO-UKRRQHHQSA-O |
| External Identifiers | ChEMBL [CHEMBL3706997]; PubChem [440904]; |
| Reference of Component-Ingredient Pair | 24271434 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3411
Formula: C16H18N2O2
Ingredient ID: TCMC3411
| Common Name | Penniclavine |
| IUPAC Name | (6aR,9S)-9-(hydroxymethyl)-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-ol |
| Canonical SMILES | OC[C@@]1(O)C[NH+](C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3 |
| Standard InCHI | InChI=1S/C16H18N2O2/c1-18-8-16(20,9-19)6-12-11-3-2-4-13-15(11)10(7-17-13)5-14(12)18/h2-4,6-7,14,17,19-20H,5,8-9H2,1H3/p+1/t14-,16+/m1/s1 |
| Standard InCHIKey | KCHBNRCSCHMJFD-ZBFHGGJFSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [115247]; |
| Reference of Component-Ingredient Pair | 25747328 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2950
Formula: C5H10O2
Ingredient ID: TCMC2950
| Common Name | Pentanic Acid,Scopolin |
| IUPAC Name | pentanoic acid |
| Canonical SMILES | CCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1 |
| Standard InCHIKey | NQPDZGIKBAWPEJ-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL268736]; PubChem [7991]; |
| Reference of Component-Ingredient Pair | 22683024 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2528
Formula: C18H13NO3
Ingredient ID: TCMC2528
| Common Name | Lysicamine |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(OC)cc2c3c1c1ccccc1C(=O)c3ncc2 |
| Standard InCHI | InChI=1S/C18H13NO3/c1-21-13-9-10-7-8-19-16-14(10)15(18(13)22-2)11-5-3-4-6-12(11)17(16)20/h3-9H,1-2H3 |
| Standard InCHIKey | DPBMWJXWUINLQT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL510090]; PubChem [122691]; |
| Reference of Component-Ingredient Pair | 23445637 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1662 | Pharbitis nil | Qian Niu Zi | 牵牛子 |
| TCMH2051 | Ziziphus jujuba var. spinosa | Suan Zao | 酸枣 |
| TCMH2052 | Ziziphus jujuba var. spinosa | Suan Zao Ren | 酸枣仁 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC212
Formula: C16H18N2O
Ingredient ID: TCMC212
| Common Name | [(6As,9R)-7-Methyl-6,6A,8,9-Tetrahydro-4H-Indolo[4,3-Fg]Quinoline-9-Yl]Methanol |
| IUPAC Name | [(6aS,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-yl]methanol |
| Canonical SMILES | OC[C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3 |
| Standard InCHI | InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15+/m1/s1 |
| Standard InCHIKey | BIXJFIJYBLJTMK-BMIGLBTASA-N |
| External Identifiers | ChEMBL [CHEMBL1331189]; PubChem [6604277]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1104
Formula: C17H26O4
Ingredient ID: TCMC1104
| Common Name | Embelin |
| IUPAC Name | 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione |
| Canonical SMILES | CCCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)O |
| Standard InCHI | InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3 |
| Standard InCHIKey | IRSFLDGTOHBADP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL221137]; PubChem [3218]; |
| Reference of Component-Ingredient Pair | 10989984 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1662 | Pharbitis nil | Qian Niu Zi | 牵牛子 |
| TCMH2164 | Clematis chinensis | Wei Ling | 威灵 |
| TCMH2166 | Clematis chinensis | Wei Ling Xian | 威灵仙 |
| TCMH2684 | Ardisia crenata | Zhu Sha Gen | 朱砂根 |
| TCMH2715 | Ardisia japonica | Zi Jin Niu | 紫金牛 |
| TCMH52 | Semen pharbitidis | Bai Chou | 白丑 |
| TCMH829 | Semen pharbitidis | Hei Chou | 黑丑 |
Showing 1 to 7 of 7 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1104 | C17H26O4 | Embelin | 294.18 | -3.4988 | 2.89 | 6.234 | 4 | 2 | 74.6 | 13 | 1 | 21 | 1 |
| TCMC212 | C16H18N2O | [(6As,9R)-7-Methyl-6,6A,8,9-Tetrahydro-4H-Indolo[4,3-Fg]Quinoline-9-Yl]Methanol | 254.14 | -0.7639 | 2.89 | 1.33 | 3 | 2 | 39.26 | 3 | 4 | 19 | 0 |
| TCMC2528 | C18H13NO3 | Lysicamine | 291.09 | -0.3674 | 3 | 3.348 | 2 | 0 | 48.42 | 4 | 4 | 22 | 0 |
| TCMC2950 | C5H10O2 | Pentanic Acid,Scopolin | 101.0602545 | -1.4075 | 1.79 | 0.83 | 2 | 0 | 40.13 | 3 | 0 | 7 | 0 |
| TCMC3411 | C16H18N2O2 | Penniclavine | 271.1446528 | -2.6601 | 2.78 | 0.224 | 3 | 4 | 60.69 | 1 | 4 | 20 | 0 |
| TCMC3822 | C16H18N2O | Elymoclavine | 255.1497382 | -1.9492 | 2.89 | 0.939 | 2 | 3 | 40.46 | 1 | 4 | 19 | 0 |
| TCMC4286 | C19H24O5 | Gibberellin A20 | 331.1545488 | -0.6158 | 3 | 0.245 | 5 | 1 | 86.66 | 1 | 5 | 24 | 0 |
| TCMC4332 | C16H20N2O | Chanoclavine | 257.1653883 | -1.3188 | 2.89 | 1.509 | 2 | 3 | 52.63 | 3 | 3 | 19 | 0 |
| TCMC4379 | C19H22O5 | Gibberellin A5 | 329.1388988 | -0.1156 | 3 | 0.348 | 5 | 1 | 86.66 | 1 | 5 | 24 | 0 |
| TCMC5924 | C16H18N2O2 | Isopenniclavine | 271.1446528 | -2.6601 | 2.78 | 0.224 | 3 | 4 | 60.69 | 1 | 4 | 20 | 0 |
Showing 1 to 10 of 11 entries
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