Natural Product (NP) Details

General Information of the NP (ID: NP1023)
Name
Morin
Synonyms
Aurantica; Calico Yellow; Al-Morin; Toxylon Pomiferum; Morin hydrate; 2',3,4',5,7-Pentahydroxyflavone; 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one; Bois d,Arc; Osage Orange; Osage Orange Extract; Bois d'arc; C.I. Natural Yellow 11; C.I. Natural Yellow 8; Osage Orange Crystals; 3,5,7,2',4'-Pentahydroxyflavone; 3,5,7,2',4'-Pentahydroxyflavonol; 2'-Hydroxypelargidenolon 1522; 2',4',3,5,7-Pentahydroxyflavone; C.I. 75660; Zlut prirodni 11; 2',4',5,7-Tetrahydroxyflavan-3-ol; Bois d'arc [French]
    Click to Show/Hide
Species Origin Morus serrata ...     Click to Show/Hide
Morus serrata
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Rosales
Family: Moraceae
Genus: Morus
Species: Morus serrata
Garcinia multiflora
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Malpighiales
Family: Clusiaceae
Genus: Garcinia
Species: Garcinia multiflora
Garcinia morella
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Malpighiales
Family: Clusiaceae
Genus: Garcinia
Species: Garcinia morella
5,7,4'-Trimethoxyflavone (Scutellaria baicalensis)
SuperKingdom: Eukaryota
Kingdom: Plantae
Phylum: Tracheophyta
Class: Magnoliopsida
Order: Lamiales
Family: Lamiaceae
Genus: Scutellaria
Species: S. baicalensis
Disease Acute lymphoblastic leukemia [ICD-11: 2B33] Investigative [1]
Colorectal cancer [ICD-11: 2B91] Investigative
Structure
Click to Download Mol
2D MOL

3D MOL

ADMET Property
Absporption
Caco-2 Permeability
 -6.294
 
MDCK Permeability
 -4.938
 
PAMPA
 +
 
HIA
 - - -
 
Distribution
VDss
 -0.654
 
PPB
 96.6%
 
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
 2.984
 
T1/2
 1.933
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.
    Click to Show/Hide
    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C15H10O7
PubChem CID
5281670
Canonical SMILES
C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
InChIKey
YXOLAZRVSSWPPT-UHFFFAOYSA-N
CAS Number
CAS 480-16-0
Herb ID
HBIN035746
ETMC ID
4885
SymMap ID
SMIT00073
TCMSP ID
MOL000737
TTD Drug ID
D0NJ4H
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          MST312      Lung cancer     Click to Show/Hide the Molecular Data of This Drug
                 Augmenting Drug Sensitivity     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		 Down-regulation Phosphorylation STAT3  Molecule Info 
Pathway MAP
                    In-vitro Model HT-29 CVCL_0320 Colon adenocarcinoma Homo sapiens
SW620 CVCL_0547 Colon adenocarcinoma Homo sapiens
MDA-MB-231 CVCL_0062 Breast adenocarcinoma Homo sapiens
                    Experimental
                    Result(s)		 Combination treatment with morin and telomerase inhibitor MST-312 reduces cancer stem cell traits by targeting STAT3 and telomerase.
Target and Pathway
Target(s) Bcl-2-like protein 3 (MCL1)  Molecule Info  [3]
E3 ubiquitin-protein ligase synoviolin  Molecule Info 
Fatty acid synthase (FASN)  Molecule Info  [4]
Oestrogen receptor beta (ESR2)  Molecule Info  [3]
Organic anion transporter 4-like (URAT1)  Molecule Info  [5]
Plasmodium 3-oxoacyl-acyl-carrier reductase (Malaria fabG)  Molecule Info  [4]
Plasmodium enoyl-ACP reductase (Malaria fabI)  Molecule Info  [4]
Plasmodium Fatty acid synthesis protein (Malaria FabZ)  Molecule Info  [4]
Programmed cell death 1 ligand 1 (PD-L1)  Molecule Info 
BioCyc Fatty acid biosynthesis initiation Click to Show/Hide
2 Fatty acid elongation -- saturated
3 Palmitate biosynthesis
KEGG Pathway PI3K-Akt signaling pathway Click to Show/Hide
2 MicroRNAs in cancer
3 Fatty acid biosynthesis
4 Metabolic pathways
5 Fatty acid metabolism
6 AMPK signaling pathway
7 Insulin signaling pathway
8 Estrogen signaling pathway
9 Prolactin signaling pathway
10 Fatty acid biosynthesis
11 Biotin metabolism
12 Metabolic pathways
13 Fatty acid metabolism
NetPath Pathway TCR Signaling Pathway Click to Show/Hide
Panther Pathway Apoptosis signaling pathway Click to Show/Hide
2 CCKR signaling map ST
Pathwhiz Pathway Fatty Acid Biosynthesis Click to Show/Hide
Pathway Interaction Database E2F transcription factor network Click to Show/Hide
2 Direct p53 effectors
3 IL6-mediated signaling events
4 HIF-1-alpha transcription factor network
5 p73 transcription factor network
6 Validated transcriptional targets of deltaNp63 isoforms
7 Plasma membrane estrogen receptor signaling
8 Validated nuclear estrogen receptor beta network
9 Validated nuclear estrogen receptor alpha network
Reactome ChREBP activates metabolic gene expression Click to Show/Hide
2 Activation of gene expression by SREBF (SREBP)
3 Fatty Acyl-CoA Biosynthesis
4 Nuclear Receptor transcription pathway
WikiPathways Apoptosis Click to Show/Hide
2 miR-targeted genes in muscle cell - TarBase
3 miR-targeted genes in lymphocytes - TarBase
4 miR-targeted genes in leukocytes - TarBase
5 Apoptosis Modulation and Signaling
6 Fatty Acid Biosynthesis
7 Nuclear Receptors Meta-Pathway
8 Liver X Receptor Pathway
9 Activation of Gene Expression by SREBP (SREBF)
10 SREBF and miR33 in cholesterol and lipid homeostasis
11 SREBP signalling
12 Metabolism of water-soluble vitamins and cofactors
13 Integration of energy metabolism
14 Fatty acid, triacylglycerol, and ketone body metabolism
15 AMPK Signaling
16 SIDS Susceptibility Pathways
17 Ovarian Infertility Genes
18 Integrated Pancreatic Cancer Pathway
19 Nuclear Receptors
20 Transport of glucose and other sugars, bile salts and organic acids, metal ions and amine compounds
References
Reference 1 Morin exhibits leukemic cellular apoptosis through caspase pathway. Nat Prod Res. 2020 Jul 16;1-5.
Reference 2 Combination treatment with flavonoid morin and telomerase inhibitor MST?312 reduces cancer stem cell traits by targeting STAT3 and telomerase. Int J Oncol. 2016 Aug;49(2):487-98.
Reference 3 In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.
Reference 4 Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids. J Med Chem. 2006 Jun 1;49(11):3345-53.
Reference 5 Morin (3,5,7,2',4'-pentahydroxyflavone) exhibits potent inhibitory actions on urate transport by the human urate anion transporter (hURAT1) express... Drug Metab Dispos. 2007 Jun;35(6):981-6.
 Download Picture         KEGG Link