Component ID |
TCMH2348 |
Latin Name |
Sanguis draconis |
English Name |
Calamus gum, dragon's blood |
Chinese Pinyin Name |
Xue Jie |
中文名 |
血竭 |
TCM Properties |
Mild,Sweet,Salty |
TCM Meridians |
Liver,Heart |
Therapeutic Class English |
Blood activation and stasis removal |
Therapeutic Class Chinese |
活血化淤 |
Functions |
stop bleeding and promote the healing of wounds, invigorate blood and remove stagnation, stop pain |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Yunnan Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
|
Barcode Source |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMF1439 | Shaolin Fengshi Dieda Plaster | 少林风湿跌打膏 |
TCMF1444 | Anyang Jingzhi Plaster | 安阳精制膏 |
TCMF2160 | XXGL Matitis Decoction | |
TCMF2618 | Shaolin Fengshi Dieda Plaster | 少林风湿跌打膏 |
TCMF2624 | Anyang Jingzhi Plaster | 安阳精制膏 |
TCMF3033 | Bai Xiao Pills | 百效丸 |
TCMF3458 | Gu Jin Pills | 骨筋丸 |
TCMF3466 | Gu Jin Wan Capsules | 骨筋丸胶囊 |
TCMF3473 | Gu Jin Wan Tablets | 骨筋丸片 |
TCMF3513 | Chuang Yang Ointment | 疮疡膏 |
Ingredient ID: TCMC6922
Formula: C17H16O4
Common Name | 2,4-Dihydroxy-5-Methyl-6-Methoxychalcone |
IUPAC Name | (E)-3-(4,6-dihydroxy-2-methoxy-3-methylphenyl)-1-phenylprop-2-en-1-one |
Canonical SMILES | COc1c(/C=C/C(=O)c2ccccc2)c(O)cc(c1C)O |
Standard InCHI | InChI=1S/C17H16O4/c1-11-15(19)10-16(20)13(17(11)21-2)8-9-14(18)12-6-4-3-5-7-12/h3-10,19-20H,1-2H3/b9-8+ |
Standard InCHIKey | FQYZLFNHAJWQNK-CMDGGOBGSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [73330801]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC6577
Formula: C33H30O7
Common Name | Dracooxepine |
IUPAC Name | 6-methoxy-2-[[(2S)-5-methoxy-2-phenyl-3,4-dihydro-2H-chromen-7-yl]oxy]-7-methyl-2-phenyl-1,3-benzodioxepin-8-ol |
Canonical SMILES | COc1cc(cc2c1CC[C@H](O2)c1ccccc1)OC1(OC=Cc2c(O1)cc(O)c(c2OC)C)c1ccccc1 |
Standard InCHI | InChI=1S/C33H30O7/c1-21-27(34)20-31-26(32(21)36-3)16-17-37-33(40-31,23-12-8-5-9-13-23)39-24-18-29(35-2)25-14-15-28(38-30(25)19-24)22-10-6-4-7-11-22/h4-13,16-20,28,34H,14-15H2,1-3H3/t28-,33?/m0/s1 |
Standard InCHIKey | DGMKKPXKWAAJMT-YCIOTGQKSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [23257577]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC6214
Formula: C49H46O10
Common Name | Dracoflavan A |
IUPAC Name | [2-[2,2-bis[(2S)-7-hydroxy-5-methoxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]ethyl]-5-hydroxy-3-methoxy-4-methylphenyl] benzoate |
Canonical SMILES | COc1c(CC(c2c(O)cc(c3c2O[C@@H](CC3)c2ccccc2)OC)c2c(O)cc(c3c2O[C@@H](CC3)c2ccccc2)OC)c(OC(=O)c2ccccc2)cc(c1C)O |
Standard InCHI | InChI=1S/C49H46O10/c1-28-36(50)25-43(59-49(53)31-18-12-7-13-19-31)34(46(28)56-4)24-35(44-37(51)26-41(54-2)32-20-22-39(57-47(32)44)29-14-8-5-9-15-29)45-38(52)27-42(55-3)33-21-23-40(58-48(33)45)30-16-10-6-11-17-30/h5-19,25-27,35,39-40,50-52H,20-24H2,1-4H3/t39-,40-/m0/s1 |
Standard InCHIKey | VOQIJACLUQIMIE-ZAQUEYBZSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [14885877]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC6162
Formula: C16H14O4
Common Name | 2,4-Dihydroxy-6-Methoxychalcone |
IUPAC Name | (E)-3-(2,4-dihydroxy-6-methoxyphenyl)-1-phenylprop-2-en-1-one |
Canonical SMILES | COc1cc(O)cc(c1/C=C/C(=O)c1ccccc1)O |
Standard InCHI | InChI=1S/C16H14O4/c1-20-16-10-12(17)9-15(19)13(16)7-8-14(18)11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+ |
Standard InCHIKey | DBKGCLWEGDYCGR-BQYQJAHWSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [14440597]; |
Reference of Component-Ingredient Pair | US9061984 |
Ingredient ID: TCMC5357
Formula: C17H18O3
Common Name | (2S)-5-Methoxy-6-Methylflavan-7-Ol |
IUPAC Name | (2S)-5-methoxy-6-methyl-2-phenyl-3,4-dihydro-2H-chromen-7-ol |
Canonical SMILES | COc1c2CC[C@H](Oc2cc(c1C)O)c1ccccc1 |
Standard InCHI | InChI=1S/C17H18O3/c1-11-14(18)10-16-13(17(11)19-2)8-9-15(20-16)12-6-4-3-5-7-12/h3-7,10,15,18H,8-9H2,1-2H3/t15-/m0/s1 |
Standard InCHIKey | PZRKAAPKQGONFG-HNNXBMFYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [10333337]; |
Reference of Component-Ingredient Pair | 23050850 |
Ingredient ID: TCMC47
Formula: C20H30O2
Common Name | (1R,4Ar,7R)-7-Ethenyl-1,4A,7-Trimethyl-3,4,4B,5,6,9,10,10A-Octahydro-2H-Phenanthrene-1-Carboxylic Acid |
IUPAC Name | (1R,4aR,7R)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid |
Canonical SMILES | C=C[C@@]1(C)CCC2C(=C1)CCC1[C@]2(C)CCC[C@@]1(C)C(=O)O |
Standard InCHI | InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15?,16?,18-,19+,20+/m0/s1 |
Standard InCHIKey | MHVJRKBZMUDEEV-SSYYCLFMSA-N |
External Identifiers | ChEMBL [CHEMBL1397211]; PubChem [5316148]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC4050
Formula: C16H12O3
Common Name | Nordracorhodin |
IUPAC Name | 5-methoxy-2-phenylchromen-7-one |
Canonical SMILES | COc1cc(=O)cc2c1ccc(o2)c1ccccc1 |
Standard InCHI | InChI=1S/C16H12O3/c1-18-15-9-12(17)10-16-13(15)7-8-14(19-16)11-5-3-2-4-6-11/h2-10H,1H3 |
Standard InCHIKey | VWNVDXRJGNLURQ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL486389]; PubChem [610735]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC3869
Formula: C20H30O2
Common Name | Isopimaric Acid |
IUPAC Name | (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid |
Canonical SMILES | C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)[O-])C1 |
Standard InCHI | InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/p-1/t15-,16+,18-,19+,20+/m0/s1 |
Standard InCHIKey | MXYATHGRPJZBNA-KRFUXDQASA-M |
External Identifiers | ChEMBL [CHEMBL512164]; PubChem [442048]; |
Reference of Component-Ingredient Pair | 21972809 |
Ingredient ID: TCMC3800
Formula: C32H24O5
Common Name | Dracorubin |
IUPAC Name | 9-methoxy-14-methyl-5,19-diphenyl-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2,8,10,13,16,19-heptaen-15-one |
Canonical SMILES | COc1cc2oc3c4c(c2c2c1CCC(O2)c1ccccc1)cc(oc4cc(=O)c3C)c1ccccc1 |
Standard InCHI | InChI=1S/C32H24O5/c1-18-23(33)16-27-29-22(15-25(35-27)20-11-7-4-8-12-20)30-28(37-31(18)29)17-26(34-2)21-13-14-24(36-32(21)30)19-9-5-3-6-10-19/h3-12,15-17,24H,13-14H2,1-2H3 |
Standard InCHIKey | FWKBXSPDFCAHFN-UHFFFAOYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [435559]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC3772
Formula: C31H22O5
Common Name | Nordracorubin |
IUPAC Name | 9-methoxy-5,19-diphenyl-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2,8,10,13,16,19-heptaen-15-one |
Canonical SMILES | COc1cc2oc3cc(=O)cc4c3c(c2c2c1CCC(O2)c1ccccc1)cc(o4)c1ccccc1 |
Standard InCHI | InChI=1S/C31H22O5/c1-33-25-17-28-30(31-21(25)12-13-23(36-31)18-8-4-2-5-9-18)22-16-24(19-10-6-3-7-11-19)34-26-14-20(32)15-27(35-28)29(22)26/h2-11,14-17,23H,12-13H2,1H3 |
Standard InCHIKey | ZKOTWKIEVACBFM-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1996924]; PubChem [341882]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC3574
Formula: C32H24O5
Common Name | Dracorubin |
IUPAC Name | (5S)-9-methoxy-14-methyl-5,19-diphenyl-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2,8,10,13,16,19-heptaen-15-one |
Canonical SMILES | COc1cc2oc3c4c(c2c2c1CC[C@H](O2)c1ccccc1)cc(oc4cc(=O)c3C)c1ccccc1 |
Standard InCHI | InChI=1S/C32H24O5/c1-18-23(33)16-27-29-22(15-25(35-27)20-11-7-4-8-12-20)30-28(37-31(18)29)17-26(34-2)21-13-14-24(36-32(21)30)19-9-5-3-6-10-19/h3-12,15-17,24H,13-14H2,1-2H3/t24-/m0/s1 |
Standard InCHIKey | FWKBXSPDFCAHFN-DEOSSOPVSA-N |
External Identifiers | ChEMBL [CHEMBL485799]; PubChem [160270]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC3227
Formula: C17H14O3
Common Name | Dracorhodin |
IUPAC Name | 5-methoxy-6-methyl-2-phenylchromen-7-one |
Canonical SMILES | COc1c2ccc(oc2cc(=O)c1C)c1ccccc1 |
Standard InCHI | InChI=1S/C17H14O3/c1-11-14(18)10-16-13(17(11)19-2)8-9-15(20-16)12-6-4-3-5-7-12/h3-10H,1-2H3 |
Standard InCHIKey | UCZJPQIEFFTIEV-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL486600]; PubChem [69509]; |
Reference of Component-Ingredient Pair | 17479428 |
Ingredient ID: TCMC2989
Formula: C20H30O2
Common Name | Sandaracopimaric Acid |
IUPAC Name | 7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid |
Canonical SMILES | C=CC1(C)CCC2C(=C1)CCC1C2(C)CCCC1(C)C(=O)[O-] |
Standard InCHI | InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/p-1 |
Standard InCHIKey | MHVJRKBZMUDEEV-UHFFFAOYSA-M |
External Identifiers | ChEMBL [N/A]; PubChem [10116]; |
Reference of Component-Ingredient Pair | 21583929 |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC2989 | C20H30O2 | Sandaracopimaric Acid | 301.2167552 | 1.0897 | 3.44 | 6.454 | 2 | 0 | 40.13 | 2 | 3 | 22 | 1 |
TCMC3227 | C17H14O3 | Dracorhodin | 266.0942943 | 0.5722 | 3 | 4.063 | 3 | 0 | 26.3 | 2 | 3 | 20 | 0 |
TCMC3574 | C32H24O5 | Dracorubin | 488.1623739 | -0.5746 | 4.43 | 8.201 | 2 | 0 | 53.99 | 3 | 7 | 37 | 1 |
TCMC3772 | C31H22O5 | Nordracorubin | 474.1467238 | -1.1277 | 4.32 | 8.02 | 2 | 0 | 53.99 | 3 | 7 | 36 | 1 |
TCMC3800 | C32H24O5 | Dracorubin | 488.1623739 | -0.5746 | 4.43 | 8.201 | 2 | 0 | 53.99 | 3 | 7 | 37 | 1 |
TCMC3869 | C20H30O2 | Isopimaric Acid | 301.2167552 | 1.2903 | 3.44 | 5.835 | 2 | 0 | 40.13 | 2 | 3 | 22 | 1 |
TCMC4050 | C16H12O3 | Nordracorhodin | 252.0786442 | 0.0191 | 2.89 | 3.746 | 3 | 0 | 26.3 | 2 | 3 | 19 | 0 |
TCMC47 | C20H30O2 | (1R,4Ar,7R)-7-Ethenyl-1,4A,7-Trimethyl-3,4,4B,5,6,9,10,10A-Octahydro-2H-Phenanthrene-1-Carboxylic Acid | 302.22 | 1.7675 | 3.44 | 6.935 | 2 | 1 | 37.3 | 6 | 3 | 22 | 1 |
TCMC5357 | C17H18O3 | (2S)-5-Methoxy-6-Methylflavan-7-Ol | 270.1255944 | -0.3002 | 3 | 4.197 | 0 | 1 | 38.69 | 2 | 3 | 20 | 0 |
TCMC6162 | C16H14O4 | 2,4-Dihydroxy-6-Methoxychalcone | 270.0892089 | -0.8751 | 2.78 | 3.276 | 1 | 2 | 66.76 | 4 | 2 | 20 | 0 |