epi-Longipinanol
PubChem CID: 91746617
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| Compound Synonyms | epi-Longipinanol, WHIUDXGNUHDGLA-AYMWDHPDSA-N, Q67879863 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CC3CCCC2C3C1 |
| Np Classifier Class | Aromadendrane sesquiterpenoids |
| Deep Smiles | C[C@H]CCC[C@][C@H]C7CCCC%106)C)C))))))C)O |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CC2CC3CCCC2C3C1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S,6S,7S)-2,6,9,9-tetramethyltricyclo[5.4.0.03,8]undecan-6-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H26O |
| Scaffold Graph Node Bond Level | C1CC2CC3CCCC2C3C1 |
| Inchi Key | WHIUDXGNUHDGLA-AYMWDHPDSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | epi-longipinanol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | epi-Longipinanol |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H26O/c1-9-10-6-8-15(4,16)13-11(9)5-7-14(2,3)12(10)13/h9-13,16H,5-8H2,1-4H3/t9-,10?,11?,12?,13-,15-/m0/s1 |
| Smiles | C[C@@H]1C2CCC(C3[C@H]2[C@@](CCC13)(C)O)(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
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