Natural Product (NP) Details
| General Information of the NP (ID: NP2322) | |||||
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| Name |
Periplocin
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| Synonyms |
Periplocin; 13137-64-9; Periplocoside; UNII-199X940O3K; 199X940O3K; 3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-, (3beta,5beta)-; Periplogenin + D-cymarose + D-glucose; BRN 0075742; Periplogenin + D-cymarose + D-glucose [German]; 4-18-00-02439 (Beilstein Handbook Reference); HY-N1381; 8208AH; s9181; ZINC79216652; AKOS030573522; CCG-270383; AS-75113; CS-0016801; 137P649; Q27252090; 15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; 3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,; 3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]; Card-20(22)-enolide, 3-((2,6-dideoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-, (3-beta,5-beta)-
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| Species Origin | Periploca forrestii ... | Click to Show/Hide | |||
| Periploca forrestii | |||||
| Disease | Pancreatic cancer [ICD-11: 2C10] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-5.949
MDCK Permeability
-5.325
PAMPA
+++
HIA
- - -
Distribution
VDss
-0.438
PPB
67.6%
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
1.725
T1/2
3.842
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 |
C36H56O13
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| PubChem CID | |||||
| Canonical SMILES |
CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C)OC)OC7C(C(C(C(O7)CO)O)O)O
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| InChI |
1S/C36H56O13/c1-18-31(49-32-30(41)29(40)28(39)25(16-37)48-32)24(44-4)14-27(46-18)47-20-5-9-33(2)22-6-10-34(3)21(19-13-26(38)45-17-19)8-12-36(34,43)23(22)7-11-35(33,42)15-20/h13,18,20-25,27-32,37,39-43H,5-12,14-17H2,1-4H3/t18-,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31-,32+,33-,34-,35+,36+/m1/s1
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| InChIKey |
KWBPKUMWVXUSCA-AXQDKOMKSA-N
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| CAS Number |
CAS 13137-64-9
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| Herb ID | |||||
| SymMap ID | |||||
| TCMSP 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 | ||||||
| TNF-related apoptosis inducing ligand | Lung 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 | BIRC5 | Molecule Info |
Pathway MAP
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| Up-regulation | Cleavage | CASP3 | Molecule Info |
Pathway MAP
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| Up-regulation | Cleavage | CASP8 | Molecule Info |
Pathway MAP
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| Down-regulation | Activity | CTNNB1 | Molecule Info |
Pathway MAP
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| Down-regulation | Phosphorylation | CTNNB1 | Molecule Info |
Pathway MAP
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| Down-regulation | Activity | FOXP3 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | TRAIL-R1 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | TRAIL-R2 | Molecule Info |
Pathway MAP
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| In-vitro Model | Eca-109 | CVCL_6898 | Esophageal squamous cell carcinoma | Homo sapiens | ||
| TE-1 | CVCL_1759 | Esophageal squamous cell carcinoma | Homo sapiens | |||
| YES-2 | CVCL_E322 | Esophageal squamous cell carcinoma | Homo sapiens | |||
| KYSE-30 | CVCL_1351 | Esophageal squamous cell carcinoma | Homo sapiens | |||
| KYSE-410 | CVCL_1352 | Esophageal squamous cell carcinoma | Homo sapiens | |||
| KYSE-510 | CVCL_1354 | Esophageal squamous cell carcinoma | Homo sapiens | |||
| Experimental
Result(s) |
Combination of the natural compound Periplocin and TRAIL induce esophageal squamous cell carcinoma apoptosis in vitro and in vivo: Implication in anticancer therapy. | |||||
