Natural Product (NP) Details
| General Information of the NP (ID: NP3683) | |||||
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| Name |
Tricin
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| Synonyms |
Tricin; 520-32-1; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-one; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one; 3',5'-DIMETHOXY-4',5,7-TRIHYDROXYFLAVONE; CHEBI:59979; 5,7,4'-trihydroxy-3',5'-dimethoxyflavone; UNII-D51JZL38TQ; D51JZL38TQ; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromen-4-one; 5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one; 3',5'-O-dimethyltricetin; 3',5'-di-O-methyltricetin; SCHEMBL44475; CHEMBL454320; 3\\',5\\'-di-O-methyltricetin; DTXSID20199965; Tricetin 3',5'-di-methyl ether; LE023; AMY33321; HY-N1127; ZINC5998961; BDBM50487758; LMPK12110873; MFCD00210580; NSC294579; STK694538; AKOS005606119; MCULE-9557900866; NSC 294579; NSC-294579; CS-0016415; FT-0775707; W1630; C10193; 520D321; Q3055452; F0001-1352
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| Species Origin | Ephedra sinica ... | Click to Show/Hide | |||
| Ephedra sinica | |||||
| Disease | Colorectal cancer [ICD-11: 2B91] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-5.166
MDCK Permeability
-4.836
PAMPA
- - -
HIA
- - -
Distribution
VDss
-0.532
PPB
97.7%
BBB
- - -
Metabolism
CYP1A2 inhibitor
+++
CYP1A2 substrate
+++
CYP2C19 inhibitor
+
CYP2C19 substrate
- -
CYP2C9 inhibitor
- - -
CYP2C9 substrate
+++
CYP2D6 inhibitor
+++
CYP2D6 substrate
+++
CYP3A4 inhibitor
+++
CYP3A4 substrate
- - -
CYP2B6 inhibitor
- - -
CYP2B6 substrate
- - -
CYP2C8 inhibitor
+++
HLM Stability
++
Excretion
CLplasma
4.791
T1/2
1.465
Toxicity
DILI
++
Rat Oral Acute Toxicity
-
FDAMDD
++
Respiratory
++
Human Hepatotoxicity
-
Ototoxicity
- - -
Drug-induced Nephrotoxicity
- - -
Drug-induced Neurotoxicity
- - -
Hematotoxicity
- - -
Genotoxicity
++
Tips: 1. For the classification endpoints, the prediction probability values are transformed into six symbols: 0-0.1 (- - -), 0.1-0.3 (- -), 0.3-0.5 (-), 0.5-0.7 (+), 0.7-0.9 (++), and 0.9-1.0 (+++).
2. Additionally, the corresponding relationships of the three labels are as follows: excellent; medium; poor.
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | |||||
| Formula |
C17H14O7
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| PubChem CID | |||||
| Canonical SMILES |
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
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| InChI |
1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3
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| InChIKey |
HRGUSFBJBOKSML-UHFFFAOYSA-N
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| CAS Number |
CAS 520-32-1
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| ChEBI ID | |||||
| Herb ID | |||||
| SymMap ID | |||||
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| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP | ||||||
| Ganciclovir | Virus infection | Click to Show/Hide the Molecular Data of This Drug | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Molecule(s)
Regulation |
Down-regulation | Expression | pbp2a | Molecule Info | ||
| Biological
Regulation |
Reduction | Effective drug dose | ||||
| In-vitro Model | MRC-5 | CVCL_0440 | Healthy | Homo sapiens | ||
| Experimental
Result(s) |
Expression of the HCMV UL54 gene was significantly inhibited by combination of GCV with tricin when compared with GCV mono-treatment. | |||||
| Target and Pathway | ||||
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| Target(s) | Programmed cell death 1 ligand 1 (PD-L1) | Molecule Info | ||
