7-epi-Silphiperfol-5-ene
PubChem CID: 74819460
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| Compound Synonyms | 7-epi-Silphiperfol-5-ene, OVRIZVNVMIWWMN-UHFFFAOYSA-N, Q67879650, (3R,3aS,5aS,8R,8aR)-3,5a,7,8-tetramethyl-1,2,3,3a,4,5,5a,8-octahydrocyclopenta[c]pentalene, Cyclopenta[c]pentalene, 1,3a,4,5,5a,6,7,8-octahydro-1,2,3a,6-tetramethyl-, (1R,3aS,5aS,6R,8aR)-, Cyclopenta[c]pentalene, 1,3a,4,5,5a,6,7,8-octahydro-1,2,3a,6-tetramethyl-, [1R-(1.alpha.,3a.beta.,5a.alpha.,6.alpha.,8aR*)]- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCC3CCCC23C1 |
| Np Classifier Class | Silphiperfolane sesquiterpenoids |
| Deep Smiles | CCCCCC5CCC5C)C=CC8C))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CC2CCC3CCCC23C1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-ene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24 |
| Scaffold Graph Node Bond Level | C1=CC2CCC3CCCC23C1 |
| Inchi Key | OVRIZVNVMIWWMN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 7-epi-silphiperfol-5-ene |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C(C)C |
| Compound Name | 7-epi-Silphiperfol-5-ene |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Gi Absorption | False |
| 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/C15H24/c1-10-5-8-15-12(3)11(2)9-14(15,4)7-6-13(10)15/h9-10,12-13H,5-8H2,1-4H3 |
| Smiles | CC1CCC23C1CCC2(C=C(C3C)C)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 Clinopodium Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700100 - 2. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1004123 - 3. Outgoing r'ship
FOUND_INto/from Salvia Sclarea (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1195292 - 4. Outgoing r'ship
FOUND_INto/from Tussilago Farfara (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643595