Component ID |
TCMH389 |
Latin Name |
Gleditsiae sinensis fructus |
English Name |
NA |
Chinese Pinyin Name |
Da Zao Jiao |
中文名 |
大皂角 |
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 |
|
Barcode Source |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMFx3136 | Bai Cao You | 百草油 |
TCMFx3418 | Die Da Wan Hua You | 跌打万花油 |
TCMFx3828 | Bo Gu Decoction | 驳骨水 |
TCMFx3947 | Dan Jia Tablets | 胆荚片 |
TCMFx397 | Zheng Gu Shui | 正骨水 |
TCMFx4219 | Han Chuan Gao Yao | 寒喘膏药 |
TCMFx4919 | Li Dan Shi Granules | 利胆石颗粒 |
TCMFx4933 | Qi Guan Yan Xiang Jiao Ointment | 气管炎橡胶膏 |
TCMFx5694 | Shang Ke Wan Hua You | 伤科万花油 |
TCMFx6317 | Zheng Gu Decoction | 正骨水 |
Ingredient ID: TCMC4324
Formula: C29H48O
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 |
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 |
Ingredient ID: TCMC3966
Formula: C29H50O
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 |
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 |
Ingredient ID: TCMC3218
Formula: C26H54O
Common Name | Ceryl Alcohol,Hexacosanol |
IUPAC Name | hexacosan-1-ol |
Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCO |
Standard InCHI | InChI=1S/C26H54O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h27H,2-26H2,1H3 |
Standard InCHIKey | IRHTZOCLLONTOC-UHFFFAOYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [68171]; |
Reference of Component-Ingredient Pair | 22536429 |
Ingredient ID: TCMC3068
Formula: C29H60
Common Name | Nonacosane |
IUPAC Name | nonacosane |
Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
Standard InCHI | InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3 |
Standard InCHIKey | IGGUPRCHHJZPBS-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL428955]; PubChem [12409]; |
Reference of Component-Ingredient Pair | 22292044 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
TCMH1721 | Panax ginseng | Ren Shen | 人参 |
TCMH1813 | Asarum sagittarioides | Shan Ci Gu | 山慈菇 |
TCMH2128 | Rhizoma bolbostemmae | Tu Bei Mu | 土贝母 |
TCMH2252 | Agrimonia pilosa var. japonica | Xian He Cao | 仙鹤草 |
TCMH2641 | Gardenia jasminoides | Zhi Zi | 栀子 |
TCMH2693 | Fructus gleditsiae abnormalis | Zhu Ya Zao | 猪牙皂 |
TCMH389 | Gleditsiae sinensis fructus | Da Zao Jiao | 大皂角 |
TCMH524 | Eucommia ulmoides | Du Zhong | 杜仲 |
Ingredient ID: TCMC3045
Formula: C27H56
Common Name | Heptacosane |
IUPAC Name | heptacosane |
Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCC |
Standard InCHI | InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3 |
Standard InCHIKey | BJQWYEJQWHSSCJ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [11636]; |
Reference of Component-Ingredient Pair | 22978235 |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC3045 | C27H56 | Heptacosane | 380.4382018 | -7.0974 | 4.43 | 15.703 | 0 | 0 | 0 | 24 | 0 | 27 | 2 |
TCMC3068 | C29H60 | Nonacosane | 408.4695019 | -7.6734 | 4.65 | 16.841 | 0 | 0 | 0 | 26 | 0 | 29 | 2 |
TCMC3218 | C26H54O | Ceryl Alcohol,Hexacosanol | 382.4174663 | -7.3094 | 4.21 | 13.369 | 1 | 1 | 20.23 | 24 | 0 | 27 | 2 |
TCMC3966 | C29H50O | Sitosterol,Β-Sitosterol | 414.3861662 | 1.3 | 4.54 | 11.595 | 1 | 1 | 20.23 | 6 | 4 | 30 | 1 |
TCMC4324 | C29H48O | Stigmasterol | 412.3705162 | 1.2566 | 4.54 | 11.071 | 1 | 1 | 20.23 | 5 | 4 | 30 | 1 |