Natural Product (NP) Details
| General Information of the NP (ID: NP5827) | |||||
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| Name |
N-butylphthalide
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| Synonyms |
Butylphthalide; 6066-49-5; 3-n-Butylphthalide; 3-BUTYLPHTHALIDE; 3-butylisobenzofuran-1(3H)-one; 1(3H)-Isobenzofuranone, 3-butyl-; 3-N-BUTYLPHATHLIDE; Phthalide, 3-butyl-; N-butylphthalide; 3-Butyl-2-benzofuran-1(3H)-one; 3-n-Butylphthalide;3-Butylphthalide; (S)-3-Butyl-1(3H)-isobenzofuranone; 3-butyl-1,3-dihydro-2-benzofuran-1-one; 3-Butyl-1(3H)-isobenzofuranone; FEMA No. 3334; CCRIS 7107; Butylphthalide [INN]; EINECS 228-000-8; 3-butyl-3H-isobenzofuran-1-one; 3-butyl-3H-2-benzofuran-1-one; 3-butyl phthalide; ACMC-20mrif; (+/-)-butylphthalide; Rac-3-n-butylphthalide; Butylphthalide (Natural); dibutyl2,2-thiobisacetate; SCHEMBL716879; CHEMBL248594; DTXSID50863687; HMS3886B22; BCP30933; HY-B0647; MFCD01704513; s9263; AKOS005362658; CCG-266504; CS-3609; DB12749; 3-N-Butylphthalide, >=98% (HPLC); AK114739; AS-56990; 3-Butylphthalide pound>>3-n-Butylphthalide; 1(3H)-Isobenzofuranone, 3-butyl-, (R)-; FT-0698673; Y0018; C17854; 066B495; Q5003180; 93133-67-6
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| Species Origin | Apium graveolens ... | Click to Show/Hide | |||
| Apium graveolens | |||||
| Disease | Vascular dementia [ICD-11: 6D81] | Phase 3 | [1] | ||
| Structure |
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | |||||
| Formula |
C12H14O2
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| PubChem CID | |||||
| Canonical SMILES |
CCCCC1C2=CC=CC=C2C(=O)O1
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| InChI |
1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3
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| InChIKey |
HJXMNVQARNZTEE-UHFFFAOYSA-N
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| CAS Number |
CAS 6066-49-5
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| 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 | ||||||
| Fluconazole | Fungal 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
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| Molecule(s)
Regulation |
Down-regulation | Expression | BICDL1 | Molecule Info | ||
| Down-regulation | Expression | BICDL2 | Molecule Info | |||
| Biological
Regulation |
Up-regulation | ROS accumulation | ||||
| In-vitro Model | Candida albicans | Microorganism model | Candida albicans | |||
| Experimental
Result(s) |
The synergistic effects between n-butylphthalide and fluconazole potentially relied on the mechanism that n-butylphthalide significantly promoted drug uptake, and suppressed drug efflux via down-regulating the drug transporter encoding genes CDR1 and CDR2. | |||||
