Laciniata ether A
PubChem CID: 91747326
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| Compound Synonyms | Laciniata ether A, SNZFUKFLMNBJGL-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CCCC2)C1 |
| Np Classifier Class | Bisabolane sesquiterpenoids |
| Deep Smiles | C=CCC)CC=CO5)CC)CCCO5)C=C)C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Oxolanes |
| Scaffold Graph Node Level | C1COC(C2CCCO2)C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 382.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethenyl-2-methyl-5-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)-3H-furan |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H22O2 |
| Scaffold Graph Node Bond Level | C1=C(C2CCCO2)OCC1 |
| Inchi Key | SNZFUKFLMNBJGL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | laciniata ether a |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, C=CC, CC1=CCCO1, COC |
| Compound Name | Laciniata ether A |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H22O2/c1-6-14(4)9-8-13(17-14)15(5)10-7-12(16-15)11(2)3/h6,8,12H,1-2,7,9-10H2,3-5H3 |
| Smiles | CC(=C)C1CCC(O1)(C)C2=CCC(O2)(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 Artemisia Laciniata (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199709/10)12:5<315::aid-ffj662>3.0.co;2-q