Cyprotene
PubChem CID: 91715050
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cyprotene, (1R,2R,5R,E)-7-Ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane, Bicyclo[3.2.1]octane, 7-ethylidene-1,2,8,8-tetramethyl-, (1R,2R,5R,7E)-, Bicyclo[3.2.1]octane, 7-ethylidene-1,2,8,8-tetramethyl-, [1R-(1.alpha.,2.beta.,5.alpha.,7E)]-, (1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo(3.2.1)octane, (1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane, (1R,2R,5R,E)-7-Ethylidene-1,2,8,8-tetramethylbicyclo(3.2.1)octane, Bicyclo(3.2.1)octane, 7-ethylidene-1,2,8,8-tetramethyl-, (1R,2R,5R,7E)-, Q67879822, 193695-14-6, Bicyclo(3.2.1)octane, 7-ethylidene-1,2,8,8-tetramethyl-, (1R-(1alpha,2beta,5alpha,7E))- |
|---|---|
| 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 | CC1CC2CCCC1C2 |
| Deep Smiles | C/C=CC[C@@H]C[C@@]5C)[C@H]C)CC6))))C)C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | CC1CC2CCCC1C2 |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 272.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H24 |
| Scaffold Graph Node Bond Level | C=C1CC2CCCC1C2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FMOZOFOCONBPNY-RAYWUTBOSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8571428571428571 |
| Logs | -5.558 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.79 |
| Synonyms | cyprotene |
| Esol Class | Soluble |
| Functional Groups | C/C=C(C)C |
| Compound Name | Cyprotene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 192.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 192.34 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.9683452 |
| Inchi | InChI=1S/C14H24/c1-6-11-9-12-8-7-10(2)14(11,5)13(12,3)4/h6,10,12H,7-9H2,1-5H3/b11-6+/t10-,12-,14+/m1/s1 |
| Smiles | C/C=C/1\C[C@H]2CC[C@H]([C@@]1(C2(C)C)C)C |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Alopecuroides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cyperus Articulatus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9699418 - 3. Outgoing r'ship
FOUND_INto/from Cyperus Difformis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644018 - 4. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all