Natural Product (NP) Details
| General Information of the NP (ID: NP4127) | |||||
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| Name |
Daidzein
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| Synonyms |
4',7-Dihydroxyisoflavone; Daidzeol; 7,4'-Dihydroxyisoflavone; 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-; 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one; 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; UNII-6287WC5J2L; CCRIS 7600; K 251b; 4,7-Dihydroxyisoflavone; EINECS 207-635-4; BRN 0231523; CHEMBL8145; 4',7-Dihydroxy-iso-flavone; d-(+)-alpha-methylbenzylamine; ,7-Dihydroxyisoflavone; 7,4'-dihydroxyisoflavone; DIADZEIN; 486-66-8
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| Species Origin | Erythrina latissima ... | Click to Show/Hide | |||
| Erythrina latissima | |||||
| Glycine max | |||||
| Medicago sativa | |||||
| Trifolium repens | |||||
| Trifolium pratense | |||||
| Epimedium pubescens | |||||
| Pueraria calycina | |||||
| Pueraria edulis | |||||
| Disease | Diabetic retinopathy [ICD-11: 9B71] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-4.692
MDCK Permeability
-4.775
PAMPA
++
HIA
- - -
Distribution
VDss
-0.21
PPB
91.8%
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
7.854
T1/2
1.177
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 |
C15H10O4
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| PubChem CID | |||||
| Canonical SMILES |
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
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| InChI |
1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
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| InChIKey |
ZQSIJRDFPHDXIC-UHFFFAOYSA-N
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| CAS Number |
CAS 486-66-8
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| Herb ID | |||||
| ETMC ID | |||||
| SymMap ID | |||||
| TCMSP ID | |||||
| TTD Drug ID | |||||
| 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 | ||||||
| Topotecan | Ovarian 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 | ABCG2 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | BAX | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | BCL-2 | Molecule Info |
Pathway MAP
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| In-vitro Model | MCF-7 | CVCL_0031 | Invasive breast carcinoma | Homo sapiens | ||
| In-vivo Model | Adult female athymic nude mice (six-week-old) were injected with MCF7 cells (5*106 cells/mouse) to construct subcutaneous breast cancer xenografts. | |||||
| Experimental
Result(s) |
Daidzein enhances the anticancer effect of topotecan and reverses BCRP-mediated drug resistance in breast cancer. | |||||
| β. A List of Drug(s) Whose Resistance can be Reversed by This NP | ||||||
| TNF-related apoptosis inducing ligand | Lung cancer | Click to Show/Hide the Molecular Data of This Drug | ||||
| Reversing Drug Resistance | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [3] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Molecule(s)
Regulation |
Down-regulation | Expression | BCL-2 | Molecule Info |
Pathway MAP
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| In-vitro Model | NCH89 | CVCL_S823 | Glioblastoma | Homo sapiens | ||
| LN-229 | CVCL_0393 | Glioblastoma | Homo sapiens | |||
| Experimental
Result(s) |
Daidzein overcomes TRAIL-resistance in malignant glioma cells by modulating the expression of the intrinsic apoptotic inhibitor, bcl-2. | |||||
| Target and Pathway | ||||
|---|---|---|---|---|
| Target(s) | Aldose reductase (AKR1B1) | Molecule Info | [4] | |
| Estrogen receptor (ESR) | Molecule Info | [5] | ||
| Estrogen-related receptor (ESRR) | Molecule Info | [6] | ||
| Transient receptor potential channel 5 (TRPC5) | Molecule Info | [7] | ||
| BioCyc | Methylglyoxal degradation III | Click to Show/Hide | ||
| 2 | Acetone degradation I (to methylglyoxal) | |||
| KEGG Pathway | Pentose and glucuronate interconversions | Click to Show/Hide | ||
| 2 | Fructose and mannose metabolism | |||
| 3 | Galactose metabolism | |||
| 4 | Glycerolipid metabolism | |||
| 5 | Metabolic pathways | |||
| 6 | Estrogen signaling pathway | |||
| 7 | Prolactin signaling pathway | |||
| 8 | Thyroid hormone signaling pathway | |||
| 9 | Endocrine and other factor-regulated calcium reabsorption | |||
| 10 | Proteoglycans in cancer | |||
| NetPath Pathway | IL1 Signaling Pathway | Click to Show/Hide | ||
| 2 | TGF_beta_Receptor Signaling Pathway | |||
| 3 | FSH Signaling Pathway | |||
| 4 | EGFR1 Signaling Pathway | |||
| 5 | RANKL Signaling Pathway | |||
| Panther Pathway | Alzheimer disease-presenilin pathway | Click to Show/Hide | ||
| Pathwhiz Pathway | Fructose and Mannose Degradation | Click to Show/Hide | ||
| 2 | Pyruvate Metabolism | |||
| 3 | Pterine Biosynthesis | |||
| 4 | Glycerolipid Metabolism | |||
| 5 | Galactose Metabolism | |||
| Pathway Interaction Database | Regulation of nuclear SMAD2/3 signaling | Click to Show/Hide | ||
| 2 | Signaling events mediated by HDAC Class II | |||
| 3 | Plasma membrane estrogen receptor signaling | |||
| 4 | LKB1 signaling events | |||
| 5 | Regulation of Telomerase | |||
| 6 | ATF-2 transcription factor network | |||
| 7 | AP-1 transcription factor network | |||
| 8 | FOXM1 transcription factor network | |||
| 9 | Validated nuclear estrogen receptor alpha network | |||
| 10 | Signaling mediated by p38-alpha and p38-beta | |||
| 11 | FOXA1 transcription factor network | |||
| Reactome | Nuclear signaling by ERBB4 | Click to Show/Hide | ||
| 2 | Nuclear Receptor transcription pathway | |||
| 3 | TRP channels | |||
| 4 | Role of second messengers in netrin-1 signaling | |||
| WikiPathways | Metapathway biotransformation | Click to Show/Hide | ||
| 2 | Polyol Pathway | |||
| 3 | Metabolism of steroid hormones and vitamin D | |||
| 4 | Estrogen signaling pathway | |||
| 5 | Nuclear Receptors Meta-Pathway | |||
| 6 | Estrogen Receptor Pathway | |||
| 7 | Signaling by ERBB4 | |||
| 8 | JAK/STAT | |||
| 9 | Integrated Pancreatic Cancer Pathway | |||
| 10 | Leptin signaling pathway | |||
| 11 | miR-targeted genes in muscle cell - TarBase | |||
| 12 | Integrated Breast Cancer Pathway | |||
| 13 | Nuclear Receptors | |||
| 14 | Netrin-1 signaling | |||
