(1S,2S,5S,7R,8R)-2,6,6-trimethyltricyclo[6.2.1.01,5]undecan-7-ol
PubChem CID: 101603330
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| 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 | C1CC2CCC3CCC2(C1)C3 |
| Np Classifier Class | Prezizaane sesquiterpenoids |
| Deep Smiles | C[C@H]CC[C@H][C@]5CC[C@H]C5)[C@H]C7C)C))O |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CC2CCC3CCC2(C1)C3 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 283.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,2S,5S,7R,8R)-2,6,6-trimethyltricyclo[6.2.1.01,5]undecan-7-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H24O |
| Scaffold Graph Node Bond Level | C1CC2CCC3CCC2(C1)C3 |
| Inchi Key | RJTVRURTSNYWOY-KSFQGOMNSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | jinkohol-ii |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | (1S,2S,5S,7R,8R)-2,6,6-trimethyltricyclo[6.2.1.01,5]undecan-7-ol |
| Exact Mass | 208.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 208.34 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H24O/c1-9-4-5-11-13(2,3)12(15)10-6-7-14(9,11)8-10/h9-12,15H,4-8H2,1-3H3/t9-,10+,11+,12+,14-/m0/s1 |
| Smiles | C[C@H]1CC[C@H]2[C@]13CC[C@H](C3)[C@H](C2(C)C)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Malaccensis (Plant) Rel Props:Reference:ISBN:9788172360818