NPs Basic Information
|
Name |
8-Methoxynaphthalene-1-ol
|
| Molecular Formula | C11H10O2 | |
| IUPAC Name* |
8-methoxynaphthalen-1-ol
|
|
| SMILES |
COC1=CC=CC2=C1C(=CC=C2)O
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|
| InChI |
InChI=1S/C11H10O2/c1-13-10-7-3-5-8-4-2-6-9(12)11(8)10/h2-7,12H,1H3
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|
| InChIKey |
NMLPABRPTHFKMQ-UHFFFAOYSA-N
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|
| Synonyms |
8-Methoxynaphthalene-1-ol; 3588-75-8; 1-methoxy-8-naphthol; 8-methoxynaphthalen-1-ol; 8-methoxy-1-naphthol; SCHEMBL3164637; MFCD18417329; ZINC14612245; AKOS022638870; AS-47703; F15621
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|
| CAS | NA | |
| PubChem CID | 10866824 | |
| ChEMBL ID | NA |
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification: |
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NPs Species Source
| Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference | |
|---|---|---|---|---|---|---|---|---|
| Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference |
NPs Biological Activity
| Bioactivity Name | Target ID | Target Name | Target Type | Target Organism | Target Organism ID | Potency of Bioactivity | Activity Type | Value | Unit | Endophyte ID | Endophyte Name | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Bioactivity Name | Target ID | Target Name | Target Type | Target Organism | Target Organism ID | Potency of Bioactivity | Activity Type | Value | Unit | Endophyte ID | Endophyte Name |
NPs Physi-Chem Properties
| Molecular Weight: | 174.2 | ALogp: | 2.8 |
| HBD: | 1 | HBA: | 2 |
| Rotatable Bonds: | 1 | Lipinski's rule of five: | Accepted |
| Polar Surface Area: | 29.5 | Aromatic Rings: | 2 |
| Heavy Atoms: | 13 | QED Weighted: | 0.718 |
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NPs ADMET Properties*
ADMET: Absorption
| Caco-2 Permeability: | -4.553 | MDCK Permeability: | 0.00002140 |
| Pgp-inhibitor: | 0.002 | Pgp-substrate: | 0.013 |
| Human Intestinal Absorption (HIA): | 0.004 | 20% Bioavailability (F20%): | 0.042 |
| 30% Bioavailability (F30%): | 0.119 |
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ADMET: Distribution
| Blood-Brain-Barrier Penetration (BBB): | 0.642 | Plasma Protein Binding (PPB): | 94.98% |
| Volume Distribution (VD): | 0.959 | Fu: | 5.28% |
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ADMET: Metabolism
| CYP1A2-inhibitor: | 0.99 | CYP1A2-substrate: | 0.94 |
| CYP2C19-inhibitor: | 0.815 | CYP2C19-substrate: | 0.352 |
| CYP2C9-inhibitor: | 0.554 | CYP2C9-substrate: | 0.932 |
| CYP2D6-inhibitor: | 0.815 | CYP2D6-substrate: | 0.91 |
| CYP3A4-inhibitor: | 0.529 | CYP3A4-substrate: | 0.311 |
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ADMET: Excretion
| Clearance (CL): | 11.82 | Half-life (T1/2): | 0.752 |
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ADMET: Toxicity
| hERG Blockers: | 0.042 | Human Hepatotoxicity (H-HT): | 0.021 |
| Drug-inuced Liver Injury (DILI): | 0.332 | AMES Toxicity: | 0.577 |
| Rat Oral Acute Toxicity: | 0.061 | Maximum Recommended Daily Dose: | 0.035 |
| Skin Sensitization: | 0.927 | Carcinogencity: | 0.872 |
| Eye Corrosion: | 0.623 | Eye Irritation: | 0.993 |
| Respiratory Toxicity: | 0.821 |
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*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.
Similar Compounds*
Compounds similar to EMNPD with top10 similarity:
| Similar NPs | Similar Drugs | ||||||
|---|---|---|---|---|---|---|---|
| NPs ID | NPs 2D Structure | Similarity Score | TTD ID | Drug 2D Structure | Similarity Score | ||
| ENC001512 |  |
0.674 | D04JEE |  |
0.358 | ||
| ENC000683 |  |
0.651 | D0Y0JH |  |
0.343 | ||
| ENC003034 |  |
0.583 | D0E9CD |  |
0.340 | ||
| ENC004659 |  |
0.580 | D01AXB |  |
0.320 | ||
| ENC001367 |  |
0.542 | D0DJ1B |  |
0.313 | ||
| ENC000033 |  |
0.512 | D08CCE |  |
0.311 | ||
| ENC004820 |  |
0.500 | D0L5PO |  |
0.308 | ||
| ENC002351 |  |
0.442 | D0O6IZ |  |
0.308 | ||
| ENC003482 |  |
0.424 | D0H5LK |  |
0.300 | ||
| ENC002352 |  |
0.423 | D04DKH |  |
0.298 | ||