1,10-Epoxyfuranoeremophilane
PubChem CID: 91747199
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,10-epoxyfuranoeremophilane, JEMHOLDSLYRZHT-HPEDKQMDSA-N, DTXSID301111542, 35470-54-3, 3H-Oxireno[8,8a]naphtho[2,3-b]furan, 1a,2,4,4a,5,9-hexahydro-4,4a,6-trimethyl-, [1aS-(1aI+/-,4I+/-,4aI+/-,9aS*)]- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 25.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CC3CCCC4CC34CC2C1 |
| Np Classifier Class | Eremophilane sesquiterpenoids |
| Deep Smiles | C[C@H]CC[C@H][C@@][C@]6C)CccC6)occ5C))))))))O3 |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Naphthofurans |
| Scaffold Graph Node Level | C1CC2CC3CCOC3CC23OC3C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 355.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,9R,10S,13S)-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-3(7),5-diene |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H20O2 |
| Scaffold Graph Node Bond Level | c1cc2c(o1)CC13OC1CCCC3C2 |
| Inchi Key | JEMHOLDSLYRZHT-HPEDKQMDSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,10-epoxyfuranoeremophilane |
| Esol Class | Soluble |
| Functional Groups | C[C@@H]1O[C@]1(C)C, coc |
| Compound Name | 1,10-Epoxyfuranoeremophilane |
| Exact Mass | 232.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 232.32 |
| 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/C15H20O2/c1-9-8-16-12-7-15-13(17-15)5-4-10(2)14(15,3)6-11(9)12/h8,10,13H,4-7H2,1-3H3/t10-,13-,14+,15-/m0/s1 |
| Smiles | C[C@H]1CC[C@H]2[C@@]3([C@@]1(CC4=C(C3)OC=C4C)C)O2 |
| 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 Anaphalis Triplinervis (Plant) Rel Props:Reference:https://doi.org/10.1007/s10600-019-02800-w