5,11-Epoxycadin-1(10)-ene
PubChem CID: 6429079
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| Compound Synonyms | 5,11-Epoxycadin-1(10)-ene, QIBQOCDVTFISGY-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CCC3CCCC1C32 |
| Np Classifier Class | Guaiane sesquiterpenoids |
| Deep Smiles | CCCCCCC6OCC5CCC9=C)))))C)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Oxolanes |
| Scaffold Graph Node Level | CC1CCC2COC3CCCC1C23 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,3,11-trimethyl-7-methylidene-2-oxatricyclo[6.3.1.04,12]dodecane |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O |
| Scaffold Graph Node Bond Level | C=C1CCC2COC3CCCC1C23 |
| Inchi Key | QIBQOCDVTFISGY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 5,11-epoxycadin-1(10)-ene |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, COC |
| Compound Name | 5,11-Epoxycadin-1(10)-ene |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| 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/C15H24O/c1-9-6-8-12-13-11(9)7-5-10(2)14(13)16-15(12,3)4/h10-14H,1,5-8H2,2-4H3 |
| Smiles | CC1CCC2C3C1OC(C3CCC2=C)(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 Polyalthia Longifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3215