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Natural Product (NP) Details

General Information of the NP (ID: NP5651)
Name
Morusin
Synonyms
Morusin; 62596-29-6; Mulberrochromene; TCMDC-124149; UNII-T4VGD5NP9B; NSC649220; T4VGD5NP9B; 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one; CHEBI:7005; CHEMBL464006; 2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)pyrano[2,3-f]chromen-4(8H)-one; 4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-; Morusin, 3; NSC 649220; MLS000697591; MEGxp0_001039; SCHEMBL2562778; ACon1_001205; cid_5281671; DTXSID70211641; HMS2271K05; BCP16494; HY-N0622; ZINC5195808; BDBM50242014; LMPK12110912; MFCD09953814; AKOS032962066; CS-6885; NSC-649220; AK169967; LS-15105; SMR000470930; FT-0686661; N2266; W1523; A14647; C10106; BRD-K40169295-001-01-2; Q27107393; 2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(3-methyl-2-butenyl)-4H-6,6-dimethylpyrano- [2,3-h]-1-benzopyran-4-one; 2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one; 2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI; 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
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Species Origin Morus australis ...     Click to Show/Hide
Morus australis
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Rosales
Family: Moraceae
Genus: Morus
Species: Morus australis
Disease Renal cell carcinoma [ICD-11: 2C90] Investigative [1]
Structure
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2D MOL

3D MOL

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Formula
C25H24O6
PubChem CID
5281671
Canonical SMILES
CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=C(C=C(C=C4)O)O)C
InChI
1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3
InChIKey
XFFOMNJIDRDDLQ-UHFFFAOYSA-N
CAS Number
CAS 62596-29-6
ChEBI ID
CHEBI:7005
Herb ID
HBIN035791
SymMap ID
SMIT00422
TCMSP ID
MOL000739
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Adverse Effect can be Decreased by This NP
          TNF-related apoptosis inducing ligand      Lung cancer     Click to Show/Hide the Molecular Data of This Drug
                 Decreasing Adverse Drug Reaction     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
                    Molecule(s)
                    Regulation
Up-regulation Expression TRAIL-R2  Molecule Info 
Pathway MAP
                    In-vitro Model U-251MG CVCL_0021 Astrocytoma Homo sapiens
LN-18 CVCL_0392 Glioblastoma Homo sapiens
                    Experimental
                    Result(s)
Morusin induces TRAIL sensitization by regulating EGFR and DR5 in human glioblastoma cells.
Target and Pathway
Target(s) CCAAT/enhancer binding beta (CEBPB)  Molecule Info  [3]
PPAR-gamma (PPARG)  Molecule Info  [3]
KEGG Pathway PPAR signaling pathway Click to Show/Hide
2 AMPK signaling pathway
3 Osteoclast differentiation
4 Huntington's disease
5 Pathways in cancer
6 Transcriptional misregulation in cancer
7 Thyroid cancer
8 TNF signaling pathway
9 Tuberculosis
NetPath Pathway IL1 Signaling Pathway Click to Show/Hide
2 TGF_beta_Receptor Signaling Pathway
3 Leptin Signaling Pathway
4 IL4 Signaling Pathway
Panther Pathway CCKR signaling map ST Click to Show/Hide
Pathway Interaction Database Noncanonical Wnt signaling pathway Click to Show/Hide
2 Calcineurin-regulated NFAT-dependent transcription in lymphocytes
3 Signaling events mediated by HDAC Class I
4 RXR and RAR heterodimerization with other nuclear receptor
5 Regulation of retinoblastoma protein
6 Regulation of nuclear SMAD2/3 signaling
7 IL4-mediated signaling events
8 FOXA2 and FOXA3 transcription factor networks
9 IFN-gamma pathway
10 IL3-mediated signaling events
11 IL6-mediated signaling events
12 C-MYB transcription factor network
13 Validated nuclear estrogen receptor alpha network
14 Signaling mediated by p38-alpha and p38-beta
15 FOXA1 transcription factor network
Reactome PPARA activates gene expression Click to Show/Hide
2 Transcriptional regulation of white adipocyte differentiation
3 Nuclear Receptor transcription pathway
4 Senescence-Associated Secretory Phenotype (SASP)
WikiPathways Wnt Signaling Pathway Netpath Click to Show/Hide
2 Nuclear Receptors in Lipid Metabolism and Toxicity
3 Differentiation of white and brown adipocyte
4 Regulation of Lipid Metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha)
5 Transcriptional Regulation of White Adipocyte Differentiation
6 Adipogenesis
7 SREBP signalling
8 Nuclear Receptors
9 SIDS Susceptibility Pathways
10 Senescence and Autophagy in Cancer
11 Diurnally Regulated Genes with Circadian Orthologs
12 IL-4 Signaling Pathway
13 Ovarian Infertility Genes
14 Transcriptional activation by NRF2
15 Oncostatin M Signaling Pathway
16 IL17 signaling pathway
17 miR-targeted genes in muscle cell - TarBase
18 miR-targeted genes in lymphocytes - TarBase
19 miR-targeted genes in leukocytes - TarBase
20 miR-targeted genes in epithelium - TarBase
21 miR-targeted genes in adipocytes - TarBase
22 Folate-Alcohol and Cancer Pathway
References
Reference 1 Morusin exerts anti-cancer activity in renal cell carcinoma by disturbing MAPK signaling pathways. Ann Transl Med. 2020 Mar;8(6):327.
Reference 2 Morusin Induces TRAIL Sensitization by Regulating EGFR and DR5 in Human Glioblastoma Cells. J Nat Prod. 2016 Feb 26;79(2):317-23.
Reference 3 Morusin suppresses breast cancer cell growth in vitro and in vivo through C/EBPBeta and PPARGamma mediated lipoapoptosis. J Exp Clin Cancer Res. 2015 Nov 4;34:137.
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Cite NPCDR
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Correspondence

X. N. Sun, Y. T. Zhang, Y. Zhou, X. C. Lian, L. L. Yan, T. Pan, T. Jin, H. Xie, Z. M. Liang, W. Q. Qiu, J. X. Wang, Z. R. Li, F. Zhu*, X. B. Sui*. NPCDR: natural product-based drug combination and its disease-specific molecular regulation. Nucleic Acids Research. 50(D1): 1324-1333 (2020). PMID: 34664659

Prof. Feng ZHU  (zhufeng@zju.edu.cn)

College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, China


Prof. Xinbing SUI  (hzzju@hznu.edu.cn)

School of Pharmacy and Department of Medical Oncology, the Affiliated Hospital of Hangzhou Normal University, Hangzhou Normal University, Hangzhou, China