Component ID |
TCMH1933 |
Latin Name |
Herba dendrobii |
English Name |
Dendrobium |
Chinese Pinyin Name |
Shi Hu |
中文名 |
石斛 |
TCM Properties |
Minor cold,Sweet |
TCM Meridians |
Stomach,Kidney |
Therapeutic Class English |
For tonifying weakness |
Therapeutic Class Chinese |
补虚 |
Functions |
benefit the stomach, promote the production of body fluid, nourish yin, and remove heat |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Yunnan Province, Guangxi Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
|
Barcode Source |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMF1096 | Hu Po Hai Jing Pills | 琥珀还睛丸 |
TCMF1447 | Bolus of Dendrobii for Poor Vision | 石斛夜光丸 |
TCMF1968 | ZYMDSG Decoction | |
TCMF2141 | Decoction of Arctii for Soothing Muscles | 牛蒡解肌汤 |
TCMF2206 | Sweet Dew Decoction | 甘露饮 |
TCMF2253 | Heat Cooling Qi Enhancing Decoction | |
TCMF2560 | Decoction of Rehmanniae | 地黄引子 |
TCMF2569 | Plus and Minus Sea Cleansing Bolus | 加减清海丸 |
TCMF2627 | Bolus of Dendrobii for Poor Vision | 石斛夜光丸 |
TCMF2831 | Gan Lu Decoction | 甘露饮 |
Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
---|---|---|---|---|
TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
TCMT207 | BACE1 | Beta-secretase 1 | Protease | P56817 |
Ingredient ID: TCMC7308
Formula: C18H15N3O
Common Name | Rutaecarpine |
IUPAC Name | 3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),4,6,8,15,17,19-heptaen-14-one |
Canonical SMILES | O=c1c2ccccc2nc2n1CCC1C2Nc2c1cccc2 |
Standard InCHI | InChI=1S/C18H15N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,12,16,19H,9-10H2 |
Standard InCHIKey | FRMGMPSSCBFTSV-UHFFFAOYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [118603930]; |
Reference of Component-Ingredient Pair | US2015374021 |
Ingredient ID: TCMC6766
Formula: C17H16O5
Common Name | 3,4,8-Trimethoxyphenanthrene-2,5-Diol |
IUPAC Name | 3,4,8-trimethoxyphenanthrene-2,5-diol |
Canonical SMILES | COc1c(O)cc2c(c1OC)c1c(O)ccc(c1cc2)OC |
Standard InCHI | InChI=1S/C17H16O5/c1-20-13-7-6-11(18)15-10(13)5-4-9-8-12(19)16(21-2)17(22-3)14(9)15/h4-8,18-19H,1-3H3 |
Standard InCHIKey | RWWKZMYUOWSSPW-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1085553]; PubChem [46871897]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC6608
Formula: C16H14O5
Common Name | 2,3,5-Trihydroxy-4,9-Dimethoxyphenanthrene |
IUPAC Name | 4,9-dimethoxyphenanthrene-2,3,5-triol |
Canonical SMILES | COc1cc2cc(O)c(c(c2c2c1cccc2O)OC)O |
Standard InCHI | InChI=1S/C16H14O5/c1-20-12-7-8-6-11(18)15(19)16(21-2)13(8)14-9(12)4-3-5-10(14)17/h3-7,17-19H,1-2H3 |
Standard InCHIKey | GSABLXRGQAKZDS-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL254807]; PubChem [24762428]; |
Reference of Component-Ingredient Pair | 22144089 |
Ingredient ID: TCMC6607
Formula: C16H16O3
Common Name | 2-Hydroxy-4,7-Dimethoxy-9,10-Dihydrophenanthrene |
IUPAC Name | 4,7-dimethoxy-9,10-dihydrophenanthren-2-ol |
Canonical SMILES | COc1ccc2c(c1)CCc1c2c(OC)cc(c1)O |
Standard InCHI | InChI=1S/C16H16O3/c1-18-13-5-6-14-10(8-13)3-4-11-7-12(17)9-15(19-2)16(11)14/h5-9,17H,3-4H2,1-2H3 |
Standard InCHIKey | HWILQAUQOIOQMW-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL254600]; PubChem [24762426]; |
Reference of Component-Ingredient Pair | 18052323 |
Ingredient ID: TCMC6606
Formula: C17H18O5
Common Name | 2,8-Dihydroxy-3,4,7-Trimethoxy-9,10-Dihydrophenanthrene |
IUPAC Name | 2,5,6-trimethoxy-9,10-dihydrophenanthrene-1,7-diol |
Canonical SMILES | COc1ccc2c(c1O)CCc1c2c(OC)c(c(c1)O)OC |
Standard InCHI | InChI=1S/C17H18O5/c1-20-13-7-6-10-11(15(13)19)5-4-9-8-12(18)16(21-2)17(22-3)14(9)10/h6-8,18-19H,4-5H2,1-3H3 |
Standard InCHIKey | OHYOIWRALJDPTD-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL254599]; PubChem [24762425]; |
Reference of Component-Ingredient Pair | 18052323 |
Ingredient ID: TCMC6605
Formula: C17H18O4
Common Name | 3-Hydroxy-2,4,7-Trimethoxy-9,10-Dihydrophenanthrene |
IUPAC Name | 2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol |
Canonical SMILES | COc1ccc2c(c1)CCc1c2c(OC)c(c(c1)OC)O |
Standard InCHI | InChI=1S/C17H18O4/c1-19-12-6-7-13-10(8-12)4-5-11-9-14(20-2)16(18)17(21-3)15(11)13/h6-9,18H,4-5H2,1-3H3 |
Standard InCHIKey | JVPHMEDOWQXNDP-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL400004]; PubChem [24762424]; |
Reference of Component-Ingredient Pair | 18052323 |
Ingredient ID: TCMC6604
Formula: C17H16O5
Common Name | 2,8-Dihydroxy-3,4,7-Trimethoxyphenanthrene |
IUPAC Name | 2,5,6-trimethoxyphenanthrene-1,7-diol |
Canonical SMILES | COc1ccc2c(c1O)ccc1c2c(OC)c(c(c1)O)OC |
Standard InCHI | InChI=1S/C17H16O5/c1-20-13-7-6-10-11(15(13)19)5-4-9-8-12(18)16(21-2)17(22-3)14(9)10/h4-8,18-19H,1-3H3 |
Standard InCHIKey | QRWFGIYPPNJHCO-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL254598]; PubChem [24762423]; |
Reference of Component-Ingredient Pair | 18052323 |
Ingredient ID: TCMC6595
Formula: C15H12O4
Common Name | Epheneranthol C |
IUPAC Name | 4-methoxyphenanthrene-2,3,5-triol |
Canonical SMILES | COc1c(O)c(O)cc2c1c1c(O)cccc1cc2 |
Standard InCHI | InChI=1S/C15H12O4/c1-19-15-13-9(7-11(17)14(15)18)6-5-8-3-2-4-10(16)12(8)13/h2-7,16-18H,1H3 |
Standard InCHIKey | XXYVUERYPGSDCY-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL254188]; PubChem [23900101]; |
Reference of Component-Ingredient Pair | 22144089 |
Ingredient ID: TCMC6538
Formula: C14H12O3
Common Name | Lusianthridin |
IUPAC Name | 9,10-dihydrophenanthrene-2,4,7-triol |
Canonical SMILES | Oc1ccc2c(c1)CCc1c2c(O)cc(c1)O |
Standard InCHI | InChI=1S/C14H12O3/c15-10-3-4-12-8(5-10)1-2-9-6-11(16)7-13(17)14(9)12/h3-7,15-17H,1-2H2 |
Standard InCHIKey | FZQKVXUXKVNUBG-UHFFFAOYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [21678577]; |
Reference of Component-Ingredient Pair | 17454314 |
Ingredient ID: TCMC6223
Formula: C16H14O4
Common Name | Ephemeranthol A |
IUPAC Name | 6,7-dimethoxyphenanthrene-2,5-diol |
Canonical SMILES | COc1c(OC)cc2c(c1O)c1ccc(cc1cc2)O |
Standard InCHI | InChI=1S/C16H14O4/c1-19-13-8-10-4-3-9-7-11(17)5-6-12(9)14(10)15(18)16(13)20-2/h3-8,17-18H,1-2H3 |
Standard InCHIKey | YQCHQMQSSOKCIR-UHFFFAOYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [15060023]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC6205
Formula: C15H12O3
Common Name | Flavanthrinin |
IUPAC Name | 4-methoxyphenanthrene-2,7-diol |
Canonical SMILES | COc1cc(O)cc2c1c1ccc(cc1cc2)O |
Standard InCHI | InChI=1S/C15H12O3/c1-18-14-8-12(17)7-10-3-2-9-6-11(16)4-5-13(9)15(10)14/h2-8,16-17H,1H3 |
Standard InCHIKey | CJYQJCATAOEZRC-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL447210]; PubChem [14777892]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC5968
Formula: C7H10O7
Common Name | Methyl 3-Carboxy-2Carboxymethyl-2-Hydroxypropanoate |
IUPAC Name | 3-hydroxy-3-methoxycarbonylpentanedioic acid |
Canonical SMILES | COC(=O)C(CC(=O)[O-])(CC(=O)[O-])O |
Standard InCHI | InChI=1S/C7H10O7/c1-14-6(12)7(13,2-4(8)9)3-5(10)11/h13H,2-3H2,1H3,(H,8,9)(H,10,11)/p-2 |
Standard InCHIKey | HCVBQXINVUFVCE-UHFFFAOYSA-L |
External Identifiers | ChEMBL [CHEMBL235362]; PubChem [12566215]; |
Reference of Component-Ingredient Pair | 17512744 |
Ingredient ID: TCMC5413
Formula: C16H14O4
Common Name | 5,7-Dimethoxyphenanthrene-2,6-Diol |
IUPAC Name | 5,7-dimethoxyphenanthrene-2,6-diol |
Canonical SMILES | COc1c(O)c(OC)cc2c1c1ccc(cc1cc2)O |
Standard InCHI | InChI=1S/C16H14O4/c1-19-13-8-10-4-3-9-7-11(17)5-6-12(9)14(10)16(20-2)15(13)18/h3-8,17-18H,1-2H3 |
Standard InCHIKey | VUNWBEIDIFFPMG-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1083093]; PubChem [10445823]; |
Reference of Component-Ingredient Pair | 16783700 |
Ingredient ID: TCMC5326
Formula: C17H20O4
Common Name | 3-O-Methylgigantol |
IUPAC Name | 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenol |
Canonical SMILES | COc1cc(CCc2ccc(c(c2)OC)OC)cc(c1)O |
Standard InCHI | InChI=1S/C17H20O4/c1-19-15-9-13(8-14(18)11-15)5-4-12-6-7-16(20-2)17(10-12)21-3/h6-11,18H,4-5H2,1-3H3 |
Standard InCHIKey | KXKMCMZHJBJGCT-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL525620]; PubChem [10108163]; |
Reference of Component-Ingredient Pair | 18827395 |
Ingredient ID: TCMC4624
Formula: C29H46O4
Common Name | 24-Hydroxy-11-Deoxyglycyrrhetic Acid |
IUPAC Name | (2S,4aS,6bR,10S,12aR,14bR)-9,10-dihydroxy-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid |
Canonical SMILES | O[C@H]1CC[C@]2(C(C1(C)O)CC[C@@]1(C2CC=C2C1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)[O-])C)C)C |
Standard InCHI | InChI=1S/C29H46O4/c1-24-13-14-25(2,23(31)32)17-19(24)18-7-8-20-26(3)11-10-22(30)29(6,33)21(26)9-12-28(20,5)27(18,4)16-15-24/h7,19-22,30,33H,8-17H2,1-6H3,(H,31,32)/p-1/t19-,20?,21?,22-,24+,25-,26+,27?,28+,29?/m0/s1 |
Standard InCHIKey | KHABBSONZWLPEN-KEVGFEQESA-M |
External Identifiers | ChEMBL [N/A]; PubChem [5318188]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC4623
Formula: C17H25NO4
Common Name | 6-Hydroxydendroxine |
IUPAC Name | 6-hydroxy-15-methyl-16-propan-2-yl-3,14-dioxa-11-azapentacyclo[7.5.1.12,5.01,11.06,15]hexadecan-4-one |
Canonical SMILES | CC(C1C2C(=O)OC1C13C4(C2(O)CCC4C[NH+]3CCO1)C)C |
Standard InCHI | InChI=1S/C17H25NO4/c1-9(2)11-12-14(19)22-13(11)17-15(3)10(4-5-16(12,15)20)8-18(17)6-7-21-17/h9-13,20H,4-8H2,1-3H3/p+1 |
Standard InCHIKey | WKNQKPAPFFKRBJ-UHFFFAOYSA-O |
External Identifiers | ChEMBL [N/A]; PubChem [5318187]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC4503
Formula: C20H22O4
Common Name | Dentatin |
IUPAC Name | 5-methoxy-2,2-dimethyl-6-(2-methylbut-3-en-2-yl)pyrano[2,3-h]chromen-8-one |
Canonical SMILES | C=CC(c1c(OC)c2C=CC(Oc2c2c1oc(=O)cc2)(C)C)(C)C |
Standard InCHI | InChI=1S/C20H22O4/c1-7-19(2,3)15-17(22-6)13-10-11-20(4,5)24-16(13)12-8-9-14(21)23-18(12)15/h7-11H,1H2,2-6H3 |
Standard InCHIKey | NMNBAUCQMAQITJ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [5316540]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC4502
Formula: C17H25NO3
Common Name | Dendroxine |
IUPAC Name | (1R,15R)-15-methyl-16-propan-2-yl-3,14-dioxa-11-azapentacyclo[7.5.1.12,5.01,11.06,15]hexadecan-4-one |
Canonical SMILES | CC(C1C2C(=O)OC1[C@@]13[C@@]4(C2CCC4C[NH+]3CCO1)C)C |
Standard InCHI | InChI=1S/C17H25NO3/c1-9(2)12-13-11-5-4-10-8-18-6-7-20-17(18,16(10,11)3)14(12)21-15(13)19/h9-14H,4-8H2,1-3H3/p+1/t10?,11?,12?,13?,14?,16-,17-/m0/s1 |
Standard InCHIKey | CCEAFOJVRQZWQC-LWBAHGMJSA-O |
External Identifiers | ChEMBL [N/A]; PubChem [5316539]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC4501
Formula: C15H22O
Common Name | Dendrolasin |
IUPAC Name | 3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan |
Canonical SMILES | C/C(=CCCc1cocc1)/CCC=C(C)C |
Standard InCHI | InChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h6,8,10-12H,4-5,7,9H2,1-3H3/b14-8+ |
Standard InCHIKey | LZBXPXAOYQVZEC-RIYZIHGNSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [5316534]; |
Reference of Component-Ingredient Pair | 11950369 |
Ingredient ID: TCMC3915
Formula: C15H14O3
Common Name | Hircinol |
IUPAC Name | 4-methoxy-9,10-dihydrophenanthrene-2,5-diol |
Canonical SMILES | COc1cc(O)cc2c1c1c(O)cccc1CC2 |
Standard InCHI | InChI=1S/C15H14O3/c1-18-13-8-11(16)7-10-6-5-9-3-2-4-12(17)14(9)15(10)13/h2-4,7-8,16-17H,5-6H2,1H3 |
Standard InCHIKey | UZIPEBBTICXJHN-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL475652]; PubChem [442705]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC3903
Formula: C16H25NO2
Common Name | Dendrine |
IUPAC Name | (1S,4S,7S,8R,11R,12R,13S)-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one |
Canonical SMILES | CC([C@H]1[C@@H]2C(=O)O[C@H]1[C@@H]1[C@@]3([C@H]2CC[C@@H]3C[NH+]1C)C)C |
Standard InCHI | InChI=1S/C16H25NO2/c1-8(2)11-12-10-6-5-9-7-17(4)14(16(9,10)3)13(11)19-15(12)18/h8-14H,5-7H2,1-4H3/p+1/t9-,10+,11+,12-,13-,14-,16+/m1/s1 |
Standard InCHIKey | RYAHJFGVOCZDEI-UFFNCVEVSA-O |
External Identifiers | ChEMBL [N/A]; PubChem [442523]; |
Reference of Component-Ingredient Pair | 29490142 |
Ingredient ID: TCMC3658
Formula: C17H20O5
Common Name | Moscatilin |
IUPAC Name | 4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,6-dimethoxyphenol |
Canonical SMILES | COc1cc(CCc2cc(OC)c(c(c2)OC)O)ccc1O |
Standard InCHI | InChI=1S/C17H20O5/c1-20-14-8-11(6-7-13(14)18)4-5-12-9-15(21-2)17(19)16(10-12)22-3/h6-10,18-19H,4-5H2,1-3H3 |
Standard InCHIKey | YTRAYUIKLRABOQ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL374047]; PubChem [176096]; |
Reference of Component-Ingredient Pair | 1659772 |
Ingredient ID: TCMC3558
Formula: C16H14O4
Common Name | Erianthridin |
IUPAC Name | 3,4-dimethoxyphenanthrene-2,7-diol |
Canonical SMILES | COc1c(O)cc2c(c1OC)c1ccc(cc1cc2)O |
Standard InCHI | InChI=1S/C16H14O4/c1-19-15-13(18)8-10-4-3-9-7-11(17)5-6-12(9)14(10)16(15)20-2/h3-8,17-18H,1-2H3 |
Standard InCHIKey | JZIYNZGPIKGKQC-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL253983]; PubChem [158975]; |
Reference of Component-Ingredient Pair | 16783700 |
Ingredient ID: TCMC2050
Formula: C11H10O4
Common Name | Scoparone |
IUPAC Name | 6,7-dimethoxychromen-2-one |
Canonical SMILES | COc1cc2oc(=O)ccc2cc1OC |
Standard InCHI | InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3 |
Standard InCHIKey | GUAFOGOEJLSQBT-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL325864]; PubChem [8417]; |
Reference of Component-Ingredient Pair | 23017425 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH1417 | Pinus massoniana | Ma Wei Song Gen | 马尾松根 |
TCMH1418 | Pinus massoniana | Ma Wei Song Shu Gen | 马尾松树根 |
TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
TCMH1657 | Radix moghaniae philippinensis | Qian Jin Ba | 千斤拔 |
TCMH1683 | Canarium album | Qing Guo | 青果 |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC2050 | C11H10O4 | Scoparone | 206.06 | 0.1664 | 2.23 | 1.607 | 1 | 0 | 44.76 | 4 | 2 | 15 | 0 |
TCMC3558 | C16H14O4 | Erianthridin | 270.0892089 | -1.0242 | 2.78 | 2.468 | 0 | 2 | 58.92 | 2 | 3 | 20 | 0 |
TCMC3658 | C17H20O5 | Moscatilin | 304.1310737 | -0.9512 | 2.78 | 2.64 | 0 | 2 | 68.15 | 6 | 2 | 22 | 0 |
TCMC3903 | C16H25NO2 | Dendrine | 264.1963541 | -0.9568 | 2.89 | 2.619 | 2 | 1 | 30.74 | 1 | 4 | 19 | 0 |
TCMC3915 | C15H14O3 | Hircinol | 242.0942943 | -0.8476 | 2.78 | 2.907 | 0 | 2 | 49.69 | 1 | 3 | 18 | 0 |
TCMC4501 | C15H22O | Dendrolasin | 218.1670653 | 2.9523 | 3 | 4.879 | 0 | 0 | 13.14 | 6 | 1 | 16 | 0 |
TCMC4502 | C17H25NO3 | Dendroxine | 292.1912687 | -1.1196 | 2.89 | 2.35 | 3 | 1 | 39.97 | 1 | 5 | 21 | 0 |
TCMC4503 | C20H22O4 | Dentatin | 326.1518092 | 2.72 | 3.22 | 3.905 | 1 | 0 | 35.53 | 3 | 3 | 24 | 0 |
TCMC4623 | C17H25NO4 | 6-Hydroxydendroxine | 308.1861833 | -1.8305 | 2.78 | 1.229 | 4 | 2 | 60.2 | 1 | 5 | 22 | 0 |
TCMC4624 | C29H46O4 | 24-Hydroxy-11-Deoxyglycyrrhetic Acid | 457.3317849 | 0.3287 | 4.21 | 7.273 | 4 | 2 | 80.59 | 1 | 5 | 33 | 1 |