Natural Product (NP) Details
| General Information of the NP (ID: NP3327) | |||||
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| Name |
Vicenin-2
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| Synonyms |
23666-13-9; Vicenin 2; Vicenin II; Violantin; Vicenin-2; Vicenin -2; CHEBI:69814; Apigenin-6,8-di-C-glycoside; MLS000575019; Vicenin; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; 5,7,4'-Trihydroxyflavone-6,8-di-C-glucoside; isovitexin 8-C-beta-glucoside; Apigenin 6,8-di-C-glucoside; AC1L9D6K; isovitexin 8-C-glucoside; SureCN5826175; isovitexin 8-C- -glucoside; SCHEMBL5826175; CHEMBL1442950; DTXSID80904219; HMS2210F06; apigenin-6,8-di-C-glycopyranoside; HY-N2165; ZINC4098604; 9348AF; MFCD08458851; AKOS015896841; NCGC00247567-01; SMR000232371; CS-0019465; C10195; 666V139; Vicenin 2, primary pharmaceutical reference standard; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
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| Species Origin | Urtica circularis ... | Click to Show/Hide | |||
| Urtica circularis | |||||
| Disease | Hepatocellular carcinoma [ICD-11: 2C12] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-6.565
MDCK Permeability
-4.989
PAMPA
+++
HIA
+++
Distribution
VDss
0.058
PPB
83.2%
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
1.889
T1/2
8.017
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 |
C27H30O15
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| PubChem CID | |||||
| Canonical SMILES |
C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O
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| InChI |
1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1
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| InChIKey |
FIAAVMJLAGNUKW-VQVVXJKKSA-N
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| CAS Number |
CAS 23666-13-9
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| ChEBI ID | |||||
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| 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 | ||||||
| Radiation | Breast cancer | 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 | CDKN1A | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | MMP-2 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | RAD50 | Molecule Info |
Pathway MAP
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| In-vitro Model | NCI-H23 | CVCL_1547 | Lung adenocarcinoma | Homo sapiens | ||
| Experimental
Result(s) |
VCN 2 sensitizes NCI H23 cells to radiation. | |||||
