Drug Information| Drug ID: | NPD342 |
| Drug Name: | "perillyl alcohol, University of Wisconsin" |
| Molecular Formula: | C10H16O |
| Canonical SMILES: | OCC1=CCC(CC1)C(=C)C |
| Standard InCHI: | "InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3" |
| Standard InCHIKey: | NDTYTMIUWGWIMO-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 1 |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD342Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| High Similarity | 1.0 | NPC148216 |
| High Similarity | 1.0 | NPC130209 |
| High Similarity | 1.0 | NPC148163 |
| High Similarity | 1.0 | NPC606432 |
| High Similarity | 1.0 | NPC606982 |
| Remote Similarity | 0.6296 | NPC66020 |
| Remote Similarity | 0.6071 | NPC157805 |
| Remote Similarity | 0.6071 | NPC217791 |
| Remote Similarity | 0.6 | NPC190810 |
| Remote Similarity | 0.6 | NPC34764 |
| Remote Similarity | 0.6 | NPC76145 |
| Remote Similarity | 0.6 | NPC19879 |
| Remote Similarity | 0.5588 | NPC508003 |
| Remote Similarity | 0.5172 | NPC100809 |
| Remote Similarity | 0.5172 | NPC209431 |
| Remote Similarity | 0.5172 | NPC95031 |