Table 2.
Active ingredients and absorption, distribution, metabolism and excretion parameters of Liu-Wei-Bu-Qi capsule
|
No.
|
Compound
|
PubChem CID
|
ADMET-SOLUBLITY-level
|
ADMET-absorption-level
|
Herb
|
| SSS1 | Arachidonate | 5312542 | 2 | 1 | SSS |
| SSS2 | Celabenzine | 442847 | 3 | 0 | SSS |
| SSS3 | Deoxyharringtonine | 285342 | 2 | 0 | SSS |
| SSS4 | Dianthramine | 441562 | 3 | 1 | SSS |
| SSS5 | Frutinone A | 441965 | 2 | 0 | SSS |
| SSS6 | Ginsenoside rh2 | 119307 | 2 | 2 | SSS |
| SSS7 | Girinimbine | 96943 | 1 | 0 | SSS |
| SSS8 | Gomisin B | 6438572 | 1 | 1 | SSS |
| SSS9 | Kaempferol | 5280863 | 3 | 0 | SSS |
| SSS10 | Maackiain | 91510 | 2 | 0 | SSS |
| SSS11 | Malkangunin | 90473155 | 3 | 0 | SSS |
| SSS12 | Panaxadiol | 73498 | 1 | 0 | SSS |
| SSS13 | Protopine | 4970 | 2 | 0 | SSS |
| SSS14 | Suchilactone | 132350840 | 2 | 0 | SSS |
| ZHQ1 | 3,9,10-Trimethoxypterocarpan | 15689655 | 2 | 0 | ZHQ |
| ZHQ2 | 7-O-methylisomucronulatol | 15689652 | 2 | 0 | ZHQ |
| ZHQ3 | Antibiotic FA 2097 | 102059896 | 3 | 0 | ZHQ |
| ZHQ4 | Betulinic acid | 64971 | 1 | 2 | ZHQ |
| ZHQ5 | Calycosin | 5280448 | 3 | 0 | ZHQ |
| ZHQ6 | Formononetin | 5280378 | 3 | 0 | ZHQ |
| ZHQ7 | Hederagenin | 73299 | 1 | 1 | ZHQ |
| ZHQ8 | Isoflavanone | 160767 | 2 | 0 | ZHQ |
| ZHQ9 | Isorhamnetin | 5281654 | 3 | 0 | ZHQ |
| ZHQ10 | Kaempferol | 5280863 | 3 | 0 | ZHQ |
| ZHQ11 | Kumatakenin | 5318869 | 3 | 0 | ZHQ |
| ZHQ12 | Quercetin | 5280343 | 3 | 1 | ZHQ |
| YZR1 | (+)-delta-cadinene | 441005 | 2 | 1 | YZR |
| YZR2 | Caryophyllene oxide | 1742210 | 2 | 0 | YZR |
| YZR3 | Chrysin | 5281607 | 3 | 0 | YZR |
| YZR4 | Daucosterol | 5742590 | 2 | 2 | YZR |
| YZR5 | Globulol | 12304985 | 2 | 0 | YZR |
| YZR6 | Isocyperol | 14076604 | 2 | 0 | YZR |
| YZR7 | Linolenic acid | 5280934 | 2 | 1 | YZR |
| YZR8 | Nootkatol | 182645 | 2 | 0 | YZR |
| YZR9 | O-cymene | 10703 | 3 | 0 | YZR |
| YZR10 | Oleic acid | 445639 | 2 | 2 | YZR |
| YZR11 | Protocatechuic acid | 72 | 4 | 0 | YZR |
| YZR12 | Valencene | 9855795 | 2 | 1 | YZR |
| YZ1 | 4',5,7-trihydroxy-6,8-dimethyl-homoisoflavanone | 46886731 | 2 | 0 | YZ |
| YZ2 | 4',5,7-trihydroxy-6-methyl-8-methoxy-homoisoflavanone | 46886730 | 3 | 0 | YZ |
| YZ3 | N-cis-Feruloyltyramine | 6440659 | 3 | 0 | YZ |
| YZ4 | P-Coumaroyltyramine | 5372945 | 3 | 0 | YZ |
| RG1 | (-)-alpha-cedrene | 6431015 | 2 | 0 | RG |
| RG2 | (-)-Caryophyllene oxide | 1742210 | 2 | 0 | RG |
| RG3 | ()-Sativene | 11275742 | 2 | 0 | RG |
| RG4 | (+)-Aromadendrene | 11095734 | 2 | 0 | RG |
| RG5 | Beta-Cubebene | 93081 | 2 | 0 | RG |
| RG6 | Copaene | 19725 | 2 | 0 | RG |
| RG7 | Diisobutyl phthalate | 6782 | 2 | 0 | RG |
| RG8 | Junipene | 1796220 | 2 | 0 | RG |
| RG9 | Ledene | 10910653 | 2 | 0 | RG |
| RG10 | Linoleic acid | 5280450 | 2 | 1 | RG |
| RG11 | Oleic acid | 445639 | 2 | 2 | RG |
| CP1 | 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one | 676152 | 3 | 0 | CP |
| CP2 | Citromitin | 12303287 | 2 | 0 | CP |
| CP3 | Naringetol | 932 | 3 | 0 | CP |
| CP4 | Nobiletin | 72344 | 2 | 0 | CP |