TCM Herb: 黄芩



Herb ID
TCMH986
Latin Name
Scutellaria baicalensis
English Name
Root of Baikal skullcaap
Chinese Pinyin Name
Huang Qin
Chinese Name
黄芩
Barcode ID
ITSAP4211-14
Barcode Source
BOLDSYSTEMS

Ingredient Structrual Cards

Ingredient ID: TCMC937
Formula: C18H20O5

Ingredient ID: TCMC908
Formula: C15H10O4

Ingredient ID: TCMC897
Formula: C16H18O9

Ingredient ID: TCMC841
Formula: C10H10O

Ingredient ID: TCMC756
Formula: C21H18O11

Ingredient ID: TCMC755
Formula: C15H10O5

Ingredient ID: TCMC7360
Formula: C16H14O6

Ingredient ID: TCMC7299
Formula: C23H24O13

Ingredient ID: TCMC710
Formula: C15H10O5

Ingredient ID: TCMC6772
Formula: C16H14O6

Ingredient ID: TCMC6548
Formula: C18H16O8

Ingredient ID: TCMC6194
Formula: C22H20O11

Ingredient ID: TCMC614
Formula: C29H36O15

Ingredient ID: TCMC606
Formula: C16H12O5

Ingredient ID: TCMC534
Formula: C16H14O5

Ingredient ID: TCMC522
Formula: C15H10O5

Ingredient ID: TCMC519
Formula: C21H20O10

Ingredient ID: TCMC5009
Formula: C22H22O10

Ingredient ID: TCMC4906
Formula: C16H12O6

Ingredient ID: TCMC4904
Formula: C17H14O7

Ingredient ID: TCMC4903
Formula: C17H14O7

Ingredient ID: TCMC4885
Formula: C16H14O6

Ingredient ID: TCMC4884
Formula: C15H10O6

Ingredient ID: TCMC4883
Formula: C15H10O6

Ingredient ID: TCMC4857
Formula: C16H12O6

Ingredient ID: TCMC4829
Formula: C15H10O7

Ingredient ID: TCMC4825
Formula: C17H14O6

Ingredient ID: TCMC4729
Formula: C22H22O9

Ingredient ID: TCMC4631
Formula: C31H40O15

Ingredient ID: TCMC4516
Formula: C19H18O8

Ingredient ID: TCMC4408
Formula: C28H48O

Ingredient ID: TCMC4355
Formula: C15H10O5

Ingredient ID: TCMC4352
Formula: C15H10O6

Ingredient ID: TCMC4324
Formula: C29H48O

Ingredient ID: TCMC4275
Formula: C17H14O8

Ingredient ID: TCMC4257
Formula: C22H20O11

Ingredient ID: TCMC417
Formula: C15H10O5

Ingredient ID: TCMC3975
Formula: C16H12O5

Ingredient ID: TCMC3966
Formula: C29H50O

Ingredient ID: TCMC3700
Formula: C17H14O5

Ingredient ID: TCMC3560
Formula: C18H16O7

Ingredient ID: TCMC3552
Formula: C15H12O7

Ingredient ID: TCMC3550
Formula: C17H14O7

Ingredient ID: TCMC3549
Formula: C16H12O6

Ingredient ID: TCMC3527
Formula: C17H14O6

Ingredient ID: TCMC3452
Formula: C19H18O8

Ingredient ID: TCMC2922
Formula: C10H10O2

Ingredient ID: TCMC2886
Formula: C12H22O11

Ingredient ID: TCMC24
Formula: C15H14O6

Ingredient ID: TCMC2324
Formula: C10H16

Ingredient ID: TCMC2292
Formula: C16H12O6

Ingredient ID: TCMC2237
Formula: C16H12O5

Ingredient ID: TCMC2188
Formula: C17H14O7

Ingredient ID: TCMC2138
Formula: C16H12O4

Ingredient ID: TCMC2055
Formula: C21H18O12

Ingredient ID: TCMC2054
Formula: C15H10O6

Ingredient ID: TCMC1965
Formula: C21H20O9

Ingredient ID: TCMC1901
Formula: C15H14O2

Ingredient ID: TCMC1798
Formula: C16H12O5

Ingredient ID: TCMC1788
Formula: C18H34O2

Ingredient ID: TCMC1495
Formula: C18H32O2

Ingredient ID: TCMC1173
Formula: C10H10O4

Ingredient ID: TCMC1123
Formula: C15H12O6

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
TCMC24 C15H14O6 (+)-Epicatechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
TCMC417 C15H10O5 3',4',7-Trihydroxyflavon 270.05 -1.8845 2.56 1.996 1 3 86.99 4 3 20 0
TCMC519 C21H20O10 5,6-Dihydroxy-2-Phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One 432.11 -3.6314 2.67 1.521 6 6 166.14 10 4 31 1
TCMC522 C15H10O5 5,7-Dihydroxy-2-(2-Hydroxyphenyl)Chromen-4-One 270.05 -1.8845 2.56 1.778 1 3 86.99 4 3 20 0
TCMC534 C16H14O5 5,7-Dihydroxy-6-Methoxy-2-Phenyl-2,3-Dihydrochromen-4-One 286.08 -1.4059 2.67 2.049 1 2 75.99 5 3 21 0
TCMC606 C16H12O5 Acacetin 284.07 -1.476 2.67 2.086 1 2 75.99 5 3 21 0
TCMC614 C29H36O15 Acetoside 624.21 -4.2978 3 -0.202 11 9 245.29 21 4 44 3
TCMC710 C15H10O5 Apigenin 270.05 -1.8845 2.56 1.567 1 3 86.99 4 3 20 0
TCMC755 C15H10O5 Baicalein 270.05 -1.8845 2.56 3.058 1 3 86.99 4 3 20 0
TCMC756 C21H18O11 Baicalin 446.08 -3.5292 2.56 1.678 7 6 183.21 10 4 32 1
TCMC841 C10H10O Butenone 146.07 0.1072 2.45 4.166 1 0 17.07 3 1 11 0
TCMC897 C16H18O9 Chlorogenic Acid 354.1 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
TCMC908 C15H10O4 Chrysin 254.06 -1.4242 2.67 3.163 1 2 66.76 3 3 19 0
TCMC937 C18H20O5 Combretastatin A4 316.13 -0.1997 2.89 3.375 0 1 57.15 11 2 23 0
TCMC1123 C15H12O6 Eriodictyol 288.06 -2.2747 2.45 0.363 1 4 107.22 5 3 21 0
TCMC1173 C10H10O4 Ferulic Acid 194.06 -0.3908 2.12 1.231 2 2 66.76 6 1 14 0
TCMC1495 C18H32O2 Linoleic Acid 280.24 -0.9485 3.22 7.865 2 1 37.3 16 0 20 2
TCMC1788 C18H34O2 Oleic Acid 282.26 -2.3427 3.22 8.192 2 1 37.3 17 0 20 2
TCMC1798 C16H12O5 Oroxylin A 284.07 -1.476 2.67 2.719 1 2 75.99 5 3 21 0
TCMC1901 C15H14O2 Pinosylvin Methyl Ether 226.1 -0.0443 2.89 5.973 0 1 29.46 5 2 17 1
TCMC1965 C21H20O9 Puerarin 416.11 -3.823 2.78 0.4 6 6 156.91 9 4 30 1
TCMC2054 C15H10O6 Scutellarein 286.05 -2.3448 2.45 1.462 1 4 107.22 5 3 21 0
TCMC2055 C21H18O12 Scutellarin 462.08 -3.9895 2.45 0.082 7 7 203.44 11 4 33 1
TCMC2138 C16H12O4 Techtochrysin 268.07 -1.0157 2.78 3.682 1 1 55.76 4 3 20 0
TCMC2188 C17H14O7 Tricin 330.07 -1.9881 2.56 0.679 1 3 105.45 8 3 24 0
TCMC2237 C16H12O5 Wogonin 284.07 -1.476 2.67 2.719 1 2 75.99 5 3 21 0
TCMC2292 C16H12O6 4'-Hydroxywogonin 300.06 -1.9363 2.56 1.123 1 3 96.22 6 3 22 0
TCMC2324 C10H16 Limonene 136.13 2.1424 2.56 3.729 0 0 0 3 1 10 0
TCMC2886 C12H22O11 Sucrose 342.1162115 -4.3105 1.57 -3.277 11 8 189.53 5 2 23 2
TCMC2922 C10H10O2 1-Phenyl-1,3-Butanedion 162.0680796 -0.4829 2.34 2.977 2 0 34.14 3 1 12 0
TCMC3452 C19H18O8 5-Hydroxy-6,7,8,4'-Tetramethoxyflavone,Skullcapflavone I,Skullcapflavone II 374.1001675 -1.2644 2.67 0.313 1 2 94.45 5 3 27 0
TCMC3527 C17H14O6 5,8-Dihydroxy-6,7-Dimethoxyflavone 314.0790382 -1.1608 2.67 1.834 1 2 75.99 3 3 23 0
TCMC3549 C16H12O6 5,8,2'-Trihydroxy-7-Methoxyflavone 300.0633881 -1.7439 2.56 1.25 5 3 86.99 2 3 22 0
TCMC3550 C17H14O7 5,8,2'-Trihydroxy-6,7-Dimethoxyflavone 330.0739528 -1.6211 2.56 0.449 1 3 96.22 3 3 24 0
TCMC3552 C15H12O7 3,5,7,2'6'-Pentahydroxyflavanone 304.0583027 -2.9269 2.34 -0.401 2 5 127.45 1 3 22 0
TCMC3560 C18H16O7 5,2'-Dihydroxy-6,7,8-Trimethoxyflavone 344.0896029 -1.3872 2.67 1.325 6 2 85.22 4 3 25 0
TCMC3700 C17H14O5 5-Hydroxy-7,8-Dimethoxyflavone 298.0841235 -0.8751 2.78 3.154 5 1 55.76 3 3 22 0
TCMC3966 C29H50O Sitosterol,Β-Sitosterol 414.3861662 1.3 4.54 11.595 1 1 20.23 6 4 30 1
TCMC3975 C16H12O5 7-Methoxybaicalein 284.0684735 -1.109 2.67 2.707 1 2 66.76 2 3 21 0
TCMC4257 C22H20O11 Wogonoside 459.0927364 -3.6061 2.67 0.774 11 4 165.81 5 4 33 1
TCMC4275 C17H14O8 5,7,2',5'-Tetrahydroxy-8,6'-Dimethoxy Flavone 346.0688674 -2.0814 2.45 -0.725 1 4 116.45 3 3 25 0
TCMC4324 C29H48O Stigmasterol 412.3705162 1.2566 4.54 11.071 1 1 20.23 5 4 30 1
TCMC4352 C15H10O6 Isoscutellarein 286.047738 -1.9778 2.45 0.592 1 4 97.99 1 3 21 0
TCMC4355 C15H10O5 Norwogonin 270.0528234 -1.5175 2.56 2.188 1 3 77.76 1 3 20 0
TCMC4408 C28H48O Campesterol,M-Cresol 400.3705162 1.9762 4.43 11.026 1 1 20.23 5 4 29 1
TCMC4516 C19H18O8 5,7-Dihydroxy-6,8,2',3'-Tetramethoxyflavone 374.1001675 -1.2644 2.67 0.313 1 2 94.45 5 3 27 0
TCMC4631 C31H40O15 2-(3-Hydroxy-4-Methoxyphenyl)-Ethyl-1-O-Α-L-Rhamnosyl-(1→3)-Β-D-(4-Feruloyl)-Glucoside 652.2367206 -3.4808 3.22 -0.022 11 7 223.29 13 4 46 3
TCMC4729 C22H22O9 8-Methoxy-5-O-Glucoside Flavone 430.1263823 -2.5702 2.89 2.49 9 4 125.68 5 4 31 0
TCMC4825 C17H14O6 Skullcapflavone I 314.0790382 -1.1608 2.67 1.412 1 2 75.99 3 3 23 0
TCMC4829 C15H10O7 3,5,7,2',6'-Pentahydroxy Flavone 302.0426527 -2.6088 2.34 0.671 5 5 118.22 1 3 22 0
TCMC4857 C16H12O6 Scutevulin 300.0633881 -1.7439 2.56 1.25 5 3 86.99 2 3 22 0
TCMC4883 C15H10O6 5,7,2',3'-Tetrahydroxyflavone 286.047738 -2.1524 2.45 0.616 4 4 97.99 1 3 21 0
TCMC4884 C15H10O6 5,7,2',6'-Tetrahydroxyflavone 286.047738 -2.1524 2.45 0.187 4 4 97.99 1 3 21 0
TCMC4885 C16H14O6 2,6,2',4'-Tetrahydroxy-6’-Methoxychalcone 302.0790382 -1.7957 2.56 1.146 1 4 107.22 4 2 22 0
TCMC4903 C17H14O7 5,2',6'-Trihydroxy-7,8-Dimethoxyflavone 330.0739528 -1.6211 2.56 0.238 1 3 96.22 3 3 24 0
TCMC4904 C17H14O7 5,7,2'-Trihydroxy-8,6'-Dimethoxyflavone 330.0739528 -1.6211 2.56 0.238 1 3 96.22 3 3 24 0
TCMC4906 C16H12O6 5,7,2'-Trihydroxy-6-Methoxyflavone 300.0633881 -1.7439 2.56 0.917 5 3 86.99 2 3 22 0
TCMC5009 C22H22O10 Wogonin 5-Β-D-Glucoside 446.1212969 -3.0305 2.78 1.527 10 5 145.91 5 4 32 0
TCMC6194 C22H20O11 Oroxylin A 7-O-Glucuronide 459.0927364 -3.6061 2.67 0.441 11 4 165.81 5 4 33 1
TCMC6548 C18H16O8 5,2',5'-Trihydroxy-6,7,8-Trimethoxyflavone 360.0845175 -1.8475 2.56 0.151 6 3 105.45 4 3 26 0
TCMC6772 C16H14O6 5,7,4'-Trihydroxy-6-Methoxyflavanone 302.0790382 -1.8662 2.56 0.453 1 3 96.22 2 3 22 0
TCMC7299 C23H24O13 Viscidulin Iii-6'-O-Β-D-Glucopyranoside 508.1216908 -3.8283 2.56 -1.833 6 7 195.6 6 4 36 1
TCMC7360 C16H14O6 7,2'6'-Trihydroxy-5-Methoxyflavanone 302.0790382 -1.8662 2.56 0.453 1 3 96.22 2 3 22 0

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1. General Information & structure data (InChi, InChiKey, SMILES)  
2. Physico-chemical Properties