Natural Product (NP) Details
| General Information of the NP (ID: NP3185) | |||||
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| Name |
Paeoniflorin
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| Synonyms |
Paeoniflorin; Peoniflorin; 23180-57-6; Paeonia moutan; Paeony root; NSC 178886; UNII-21AIQ4EV64; 21AIQ4EV64; C23H28O11; ((2S,2aR,2a1S,3aR,4R,5aR)-4-Hydroxy-2-methyl-2a-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexahydro-2H-1,5-dioxa-2,4-methanocyclobuta[cd]pentalen-2a1-yl)methyl benzoate; b-D-Glucopyranoside,(1aR,2S,3aR,5R,5aR,5bS)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl; paeoniflorine; paeoniflorin;; Peoniflorin;; CCRIS 6494; MFCD00869331; NSC178886; EINECS 245-476-2; SCHEMBL549033; CHEBI:7889; CHEMBL4303209; Paeoniflorin, analytical standard; Paeoniflorin, >=98% (HPLC); HMS3884D17; EBD18862; HY-N0293; ZINC8234328; CP0062; s2410; 3-HYDROXY-3-METHYLHEXANOICACID; AKOS025311455; CCG-269549; AS-12193; beta-D-Glucopyranoside, (1aS,2R,3aR,5R,5aR,5bS)-5b-((benzoyloxy)methyl)tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta(cd)pentalen-1a(2H)-yl; AB0011492; C09959; AB01566855_01; 180P576; Q-100296; Q7124104; .beta.-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl; [hydroxy-methyl-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-[?]yl]methyl benzoate; 5b-((Benzoyloxy)methyl)tetrahydro-5-hydroxy-2-methyl-2,5-methano-lH-3,4-dioxacyclobuta(cd)pentalen-1a(2H)-yl-beta-D-glucopyranoside; beta-D-Glucopyranoside, 5b-((benzoyloxy)methyl)tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta(cd)pentalen-1a(2H)-yl, (1aR-(1a-alpha,2-beta,3a-alpha,5-alpha,5a-alpha,5b-alpha))-; beta-d-Glucopyranoside, 5b-((benzoyloxy)methyl)tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta(cd)pentalen-1a(2H)-yl, (1aR-(1aalpha,2beta,3aalpha,5alpha,5aalpha,5balpha))-
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| Species Origin | Paeonia lactiflora ... | Click to Show/Hide | |||
| Paeonia lactiflora | |||||
| Disease | Parkinson's disease [ICD-11: 8A00] | Investigative | [1] | ||
| Structure |
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| Formula |
C23H28O11
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| PubChem CID | |||||
| Canonical SMILES |
CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)O
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| InChI |
1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1
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| InChIKey |
YKRGDOXKVOZESV-WRJNSLSBSA-N
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| CAS Number |
CAS 23180-57-6
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| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Drug(s) Whose Adverse Effect can be Decreased by This NP | ||||||
| X-ray irradiation | Scaphoid Fracture | 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
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| Molecule(s)
Regulation |
Down-regulation | Expression | BAX | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | BCL-2 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | CASP3 | Molecule Info |
Pathway MAP
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| In-vitro Model | Human skin fibroblasts | Healthy | Homo sapiens | |||
| Experimental
Result(s) |
Acteoside could protect the cells from X ray induced damage through enhancing the scavenging activity of ROS, decreasing the Bax/Bcl 2 ratio and downregulating the activity of procaspase 3, as well as modulating the mitogen activated protein kinase signaling pathways. | |||||
| Albiflorin | Chronic obstructive pulmonary disease | 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 | [3] | |||||
| Detail(s) |
Combination Info
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| In-vivo Model | Mice were exposed to X-ray radiation (400 Roentgen), and both mice and rabbits were intraperitoneally injected with cyclophosphamide (100.0 mg/kg) and cytarabine chloride (92.7 mg/kg), respectively, for 3 days to induce myelosuppression. | |||||
| Experimental
Result(s) |
These results substantiate the marked therapeutic effects of CPA to ameliorate myelosuppression induced by radio and chemotherapy. | |||||
| Target and Pathway | ||||
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| Target(s) | Adenosine A1 receptor (ADORA1) | Molecule Info | [1] | |
| KEGG Pathway | cGMP-PKG signaling pathway | Click to Show/Hide | ||
| 2 | cAMP signaling pathway | |||
| 3 | Sphingolipid signaling pathway | |||
| 4 | Neuroactive ligand-receptor interaction | |||
| 5 | Morphine addiction | |||
| NetPath Pathway | TCR Signaling Pathway | Click to Show/Hide | ||
| 2 | RANKL Signaling Pathway | |||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | Click to Show/Hide | ||
| 2 | Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | |||
| Reactome | Adenosine P1 receptors | Click to Show/Hide | ||
| 2 | G alpha (i) signalling events | |||
| WikiPathways | Nucleotide GPCRs | Click to Show/Hide | ||
| 2 | GPCRs, Class A Rhodopsin-like | |||
| 3 | GPCR ligand binding | |||
| 4 | GPCR downstream signaling | |||
