Helifolen-15-al
PubChem CID: 91747477
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | helifolen-15-al, IHDVAQYHWXGXMH-UHFFFAOYSA-N, Q67879911 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CC3CCC2(C1)CC3 |
| Deep Smiles | O=CCCCCC5CCCC=C6))C6C)C))C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Organic oxides |
| Scaffold Graph Node Level | C1CC2CC3CCC2(C1)CC3 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,6,7-trimethyltricyclo[5.2.2.01,5]undec-8-ene-2-carbaldehyde |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H22O |
| Scaffold Graph Node Bond Level | C1=CC23CCCC2CC1CC3 |
| Inchi Key | IHDVAQYHWXGXMH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | helifolen-15-al |
| Esol Class | Soluble |
| Functional Groups | CC=CC, CC=O |
| Compound Name | Helifolen-15-al |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| 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/C15H22O/c1-13(2)12-5-4-11(10-16)15(12)8-6-14(13,3)7-9-15/h6,8,10-12H,4-5,7,9H2,1-3H3 |
| Smiles | CC1(C2CCC(C23CCC1(C=C3)C)C=O)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 Lantana Camara (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199901/02)14:1<15::aid-ffj777>3.0.co;2-m