Sinenofuranol
PubChem CID: 91753767
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| Compound Synonyms | Sinenofuranol, YNRKDVOAXYELOW-WBGPXRNDSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCC3(CCCC3C1)C2 |
| Np Classifier Class | Agarofuran sesquiterpenoids |
| Deep Smiles | OC[C@@H]CCC[C@@]5C[C@@H]CO5)C)C))CCC7 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Oxolanes |
| Scaffold Graph Node Level | C1CC2COC3(CCCC3C1)C2 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | [(1S,2S,9S)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl]methanol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H24O2 |
| Scaffold Graph Node Bond Level | C1CC2COC3(CCCC3C1)C2 |
| Inchi Key | YNRKDVOAXYELOW-WBGPXRNDSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | sinenofuranol |
| Esol Class | Soluble |
| Functional Groups | CO, COC |
| Compound Name | Sinenofuranol |
| Exact Mass | 224.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 224.34 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H24O2/c1-13(2)11-5-3-4-10-6-7-12(9-15)14(10,8-11)16-13/h10-12,15H,3-9H2,1-2H3/t10?,11-,12-,14-/m0/s1 |
| Smiles | CC1([C@H]2CCCC3CC[C@H]([C@@]3(C2)O1)CO)C |
| 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 Agallocha (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698252