Natural Product (NP) Details
| General Information of the NP (ID: NP7288) | |||||
|---|---|---|---|---|---|
| Name |
Plaunotol
|
||||
| Synonyms |
plaunotol; Kelnac; 64218-02-6; Plaunotolum; CS-684; 18-hydroxygeranylgeraniol; (E,Z,E)-7-Hydroxymethyl-3,11,15-trimethyl-2,6,10,14-hexadecatetraen-1-ol; UNII-MV715X4634; CHEBI:32023; MV715X4634; (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-6-methylocta-2,6-diene-1,8-diol; (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol; Plaunotolum [Latin]; Plaunotol [INN:JAN]; Kelnac (TN); (2Z,6E)-2-((E)-4,8-Dimethylnona-3,7-dien-1-yl)-6-methylocta-2,6-diene-1,8-diol; Plaunotol (JAN/INN); SCHEMBL440334; CHEMBL285815; 2,6-Octadiene-1,8-diol, 2-[(3e)-4,8-dimethyl-3,7-nonadienyl]-6-methyl-, (2Z,6E)-; ZINC13907151; LMPR0104010010; (2Z,6E)-2-((3E)-4,8-Dimethyl-3,7-nonadienyl)-6-methyl-2,6-octadiene-1,8-diol; 2,6,10,14-HEXADECATETRAEN-1-OL, 7-(HYDROXYMETHYL)-3,11,15-TRIMETHYL-, (E,Z,E)-; C13273; D01803; Q27114751; 2,6-Octadiene-1,8-diol, 2-(4,8-dimethyl-3,7-nonadienyl)-6-methyl-, (Z,E,E)- (9CI)
Click to Show/Hide
|
||||
| Species Origin | Croton sublyratus ... | Click to Show/Hide | |||
| Croton sublyratus | |||||
| Disease | Ulcer [ICD-11: CA02-CB40] | Approved | [1] | ||
| Structure |
|
Click to Download Mol2D MOL |
|||
| ADMET Property |
Absporption
Caco-2 Permeability
-4.552
MDCK Permeability
-4.831
PAMPA
- - -
HIA
+
Distribution
VDss
-0.377
PPB
81.4%
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
8.982
T1/2
0.91
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 |
C20H34O2
|
||||
| PubChem CID | |||||
| Canonical SMILES |
CC(=CCCC(=CCCC(=CCCC(=CCO)C)CO)C)C
|
||||
| InChI |
1S/C20H34O2/c1-17(2)8-5-9-18(3)10-6-12-20(16-22)13-7-11-19(4)14-15-21/h8,10,13-14,21-22H,5-7,9,11-12,15-16H2,1-4H3/b18-10+,19-14+,20-13-
|
||||
| InChIKey |
SUWYPNNPLSRNPS-UNTSEYQFSA-N
|
||||
| CAS Number |
CAS 64218-02-6
|
||||
| ChEBI ID | |||||
| TTD Drug ID | |||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
|---|---|---|---|---|---|---|
| α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP | ||||||
| Clarithromycin | Bacterial infection | 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
|
|||||
| In-vivo Model | Specific-pathogen-free, 5-week-old male Mongolian gerbils were orally inoculated with 2 mL of bacterial suspension having a density of 1 * 108 cfu/mL. | |||||
| Experimental
Result(s) |
Plaunotol and clarithromycin combination exhibited synergistic effects in the treatment of diseases associated with clarithromycin-resistant H. pylori. | |||||
